Tag: M.W:200-300

Synthetic Route of 3056-33-5, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 3056-33-5, Name is N2,9-Diacetylguanine, SMILES is CC(=O)NC1=NC2=C(N=CN2C(C)=O)C(=O)N1, belongs to piperidines compound. In a article, author is Sanam, introduce new discover of the category.

Morpholinium and Piperidinium Based Deep Eutectic Solvents for Synthesis of Pyrazole-5-Carbonitriles, Indoles and Tetrazoles: Bulk Properties via Molecular Dynamics Simulations

Deep eutectic solvents (DES) have gained much popularity in the area of green synthetic chemistry, since they act as excellent alternative to traditional organic solvents for carrying out diverse organic reactions and transformations. Furthermore, they are thermally stable over a wide temperature range, they are non-volatile, inert and can be easily recovered and reused after carrying out reactions. In the present study, we have synthesized morpholine and piperidine based ionic liquids, and combined them with different hydrogen bond donors (urea, diethylene glycol (DEG), carboxylic acid, thiourea, ethanol and methanol) to produce different DES melts. These DES melts were then explored for their potential as catalyst/reaction media for carrying out different organic transformations for synthesis of molecules such as pyrazole-5-carbonitriles 5 a-d, Fisher Indoles 8 a-d and 1H-tetrazoles 10 a-b. In DES, the hydrogen bonded interactions between ionic liquids and hydrogen bond donors are known to be crucial for mediating their catalytic and synthetic efficiency, hence molecular dynamics simulations of these DES melts were carried out to investigate and study these effects.

Synthetic Route of 3056-33-5, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 3056-33-5.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

In an article, author is Huang, Huoming, once mentioned the application of 2873-29-2, Name is (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate, molecular formula is C12H16O7, molecular weight is 272.25, MDL number is MFCD00063253, category is piperidines. Now introduce a scientific discovery about this category, Application In Synthesis of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate.

Design, Synthesis, and Structure-Activity Relationship Exploration of Alkyl/Phenylalkyl Piperidine Analogues as Novel Highly Potent and Selective mu Opioid Receptor Agonists

Pain was implicated in many diseases. Despite effectiveness to treat moderate to severe pain, opioid analgesics elicited many side effects, greatly limiting their prescription in clinics. Based on Ml, an active metabolite of tramadol, 3-((dimethylamino)methyl)-4-(3-hydroxyphenyl)piperidin-4-ol analogues were designed, synthesized, and evaluated in vitro. Among all the compounds tested, compound 23 was found to be a novel, highly selective, and potent MOR agonist (K-i (MOR) = 0.0034 nM, EC50 MOR = 0.68 nM, E-max = 206.5%; K-i (DOR) = 41.67 nM; K KOR = 7.9 nM). Structure-activity relationship exploration showed that the linker between the piperidine ring and the phenyl ring as well as substituent pattern of the phenyl ring played a pivotal role in binding affinity and selectivity. (3R, 4S)-23 (K-i (MOR )= 0.0021 +/- 0.0001 nM, EC50 (MOR) = 0.0013 +/- 0.0001 nM, E-max = 209.1 +/- 1.4%; K DoR = 18.4 +/- 0.7 nM, EC50 (DOR) = 74.5 +/- 2.8 nM, E-max= 267.1 +/- 1.4%; K-i (KOR) = 25.8 +/- 0.2 nM, EC50 (DOR) = 116.2 +/- 4.4 nM, E-max = 209.5 +/- 1.4%) had more potent activity for opioid receptors than its enantiomer (3S, 4R)-23 and was found to be a potent, highly selective MOR agonist with novel scaffold. High binding affinity and selectivity of (3R, 4S)-23 for MOR over KOR and DOR and its mechanism of activating MOR were proposed by docking and molecular dynamics simulations, respectively.

Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 2873-29-2, Application In Synthesis of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 388077-74-5, Name is 1-Boc-2-piperidinamide, molecular formula is C11H20N2O3. In an article, author is Dias Viegas, Flavia Pereira,once mentioned of 388077-74-5, Safety of 1-Boc-2-piperidinamide.

Design, synthesis and pharmacological evaluation of N-benzyl-piperidinyl-aryl-acylhydrazone derivatives as donepezil hybrids: Discovery of novel multi-target anti-alzheimer prototype drug candidates

A new series of sixteen multifunctional N-benzyl-piperidine-aryl-acylhydrazones hybrid derivatives was synthesized and evaluated for multi-target activities related to Alzheimer’s disease (AD). The molecular hybridization approach was based on the combination, in a single molecule, of the pharmacophoric N-benzyl-piperidine subunit of donepezil, the substituted hydroxy-piperidine fragment of the AChE inhibitor LASSBio-767, and an acylhydrazone linker, a privileged structure present in a number of synthetic aryl- and aryl-acylhydrazone derivatives with significant AChE and anti-inflammatory activities. Among them, compounds 4c, 4d, 4g and 4j presented the best AChE inhibitory activities, but only compounds 4c and 4g exhibited concurrent anti-inflammatory activity in vitro and in vivo, against amyloid beta oligomer (A beta O) induced neuroinflammation. Compound 4c also showed the best in vitro and in vivo neuroprotective effects against A beta O-induced neurodegeneration. In addition, compound 4c showed a similar binding mode to donepezil in both acetylated and free forms of AChE enzyme in molecular docking studies and did not show relevant toxic effects on in vitro and in vivo assays, with good predicted ADME parameters in silico. Overall, all these results highlighted compound 4c as a promising and innovative multi-target drug prototype candidate for AD treatment. (C) 2018 Elsevier Masson SAS. All rights reserved.

If you¡¯re interested in learning more about 388077-74-5. The above is the message from the blog manager. Safety of 1-Boc-2-piperidinamide.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Synthetic Route of 388077-74-5, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 388077-74-5, Name is 1-Boc-2-piperidinamide, SMILES is O=C(C1N(C(OC(C)(C)C)=O)CCCC1)N, belongs to piperidines compound. In a article, author is Muzaffar, Saima, introduce new discover of the category.

Probing phenylcarbamoylazinane-1,2,4-triazole amides derivatives as lipoxygenase inhibitors along with cytotoxic, ADME and molecular docking studies

Hunting small molecules as anti-inflammatory agents/drugs is an expanding and successful approach to treat several inflammatory diseases such as cancer, asthma, arthritis, and psoriasis. Besides other methods, inflammatory diseases can be treated by lipoxygenase inhibitors, which have a profound influence on the development and progression of inflammation. In the present study, a series of new N-alkyl/aralky/aryl derivatives (7a-o) of 2-(4-phenyl-5-(1-phenylcarbamoyl)piperidine-4H-1,2,4-triazol-3-ylthio)acetamide was synthesized and screened for their inhibitory potential against the enzyme 15-lipoxygenase. The simple precursor ethyl piperidine-4-carboxylate (a) was successively converted into phenylcarbamoyl derivative (1), hydrazide (2), semicarbazide (3) and N-phenylated 5-(1-phenylcarbamoyl)piperidine-1,2,4-triazole (4), then in combination with electrophiles (6a-o) through further multistep synthesis, final products (7a-o) were generated. All the synthesized compounds were characterized by FTIR, H-1, C-13 NMR spectroscopy, EIMS, and HREIMS spectrometry. Almost all the synthesized compounds showed excellent inhibitory potential against the tested enzyme. Compounds 7c, 7f, 7d, and 7g displayed potent inhibitory potential (IC50 9.25 +/- 0.26 to 21.82 +/- 0.35 mu M), followed by the compounds 7n, 7h, 7e, 7a, 7b, 7l, and 7o with IC50 values in the range of 24.56 +/- 0.45 to 46.91 +/- 0.57 mu M. Compounds 7c, 7f, 7d exhibited 71.5 to 83.5% cellular viability by MTT assay compared with standard curcumin (76.9%) when assayed at 0.125 mM concentration. In silico ADME studies supported the drug-likeness of most of the molecules. In vitro inhibition studies were substantiated by molecular docking wherein the phenyl group attached to the triazole ring was making a pi-delta interaction with Leu607. This work reveals the possibility of a synthetic approach of compounds in relation to lipoxygenase inhibition as potential lead compounds in drug discovery.

Synthetic Route of 388077-74-5, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 388077-74-5 is helpful to your research.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Formula: C10H20N2O2, 188111-79-7, Name is (R)-1-Boc-3-Aminopiperidine, SMILES is C(=O)(OC(C)(C)C)N1CCC[C@H](C1)N, belongs to piperidines compound. In a document, author is Noble, Carolina, introduce the new discover.

Application of a screening method for fentanyl and its analogues using UHPLC-QTOF-MS with data-independent acquisition (DIA) in MSE mode and retrospective analysis of authentic forensic blood samples

The steady appearance of new fentanyl analogues and the associated overdose deaths require the development of sensitive screening approaches to detect these compounds in biological samples and seizures. We developed a targeted screening method to detect 50 4-anilidopiperidine-related fentanyl analogues in whole blood using ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry in data-independent acquisition mode. Sample preparation was performed using protein precipitation on a fully automated robotic setup. Thirteen analogues were selected to validate the method. A small matrix ion enhancement effect (110-123%) was observed for all of the compounds; the recovery ranged from 67% to 81% and the process efficiency from 81% to 98%. Limit of detection was within 0.0005-0.001mg/kg and limit of identification ranged from 0.001 to 0.005mg/kg. In the retrospective analysis of 2339 forensic blood samples, the major finding was fentanyl (n=56), followed by alfentanil (n=5) and remifentanil (n=1). Identification of 34 fentanyl analogues was based on the predicted product ions resulting from common fentanyl-specific collision-induced cleavages, particularly on the product ion result of the fragmentation on the C-N bond between the phenylamide moiety and the piperidine ring. The proposed hypothesis was supported by the targeted analysis of 16 fentanyl analogues using this method and available published mass spectral data sources for fentanyl analogues. A targeted screening method for 50 fentanyl analogues was successfully validated and implemented to analyse authentic blood samples, where identifying targeted fentanyl analogues was tentatively achieved without using reference standards.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 188111-79-7. Formula: C10H20N2O2.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 4005-49-6, Name is N-(7H-Purin-6-yl)benzamide, SMILES is O=C(NC1=C2NC=NC2=NC=N1)C3=CC=CC=C3, belongs to piperidines compound. In a document, author is Sackus, Algirdas, introduce the new discover, SDS of cas: 4005-49-6.

One-pot synthesis of polycyclic heterocyclic compounds by condensation of 1-carbamoylmethyl-2,3,3-trimethyl-3H-indolium salts with pyridine-2, 3, and 4-and quinoline-4-carboxaldehydes

A one-pot synthesis of new polycyclic heterocyclic compounds was carried out via the condensation of 1-carbamoylmethyl-2,3,3-trimethyl-3H-indolium chloride with pyridine- and quinolinecarboxaldehydes. The heating of the aforementioned 3H-indolium salts with 1 eq. of pyridine-2, 3, and 4- or quinoline-4-carboxaldehyde in ethanol in the presence of piperidine as a catalyst provided 9a-12(pyridyl)ethenyll- or 9a-[2-(quinolyl)ethenyl]-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one derivatives as the main products. However, reaction outcome was dramatically different for the analogous reactions in acetic acid. In this case, the heating of the chloride with 2 eq. of pyridine-2-carboxaldehyde afforded derivatives of 9a-[3-(pyridin-2-yl)indolizin-2-yl]-9,9a-dihydro-1H-imidazo [1,2-a]indol-2(3H)-one as the major product, while the use of 2 eq. of pyridine-3 and 4- or quinoline-4-carboxaldehyde led to the formation 2-heteroaryl-1-heteroarylmethyl-9H-pyrrolo[1,2-a]indole-3-carboxamides. Plausible pathways for the cyclization reactions are discussed. The structural assignments were based on H-1, C-13 and N-15 NMR spectroscopy, HRMS and single-crystal X-ray diffraction data. (C) 2018 Elsevier Ltd. All rights reserved.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 4005-49-6 is helpful to your research. SDS of cas: 4005-49-6.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 477600-74-1, Name is N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, SMILES is C[C@H]1[C@@H](N(C)C2=C3C(NC=C3)=NC=N2)CNCC1, in an article , author is Richard-Bildstein, Sylvia, once mentioned of 477600-74-1, Computed Properties of C13H19N5.

Discovery of the Potent, Selective, Orally Available CXCR7 Antagonist ACT-1004-1239

The chemokine receptor CXCR7, also known as ACKR3, is a seven-transmembrane G-protein-coupled receptor (GPCR) involved in various pathologies such as neurological diseases, autoimmune diseases, and cancers. By binding and scavenging the chemokines CXCL11 and CXCL12, CXCR7 regulates their extracellular levels. From an original high-throughput screening campaign emerged hit 3 among others. The hit-to-lead optimization led to the discovery of a novel chemotype series exemplified by the trans racemic compound 11i. This series provided CXCR7 antagonists that block CXCL11- and CXCL12-induced 6-arrestin recruitment. Further structural modifications on the trisubstituted piperidine scaffold of 11i yielded compounds with high CXCR7 antagonistic activities and balanced ADMET properties. The effort described herein culminated in the discovery of ACT-1004-1239 (28f). Biological characterization of ACT-1004-1239 demonstrated that it is a potent, insurmountable antagonist. Oral administration of ACT-1004-1239 in mice up to 100 mg/kg led to a dose-dependent increase of plasma CXCL12 concentration.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 477600-74-1, you can contact me at any time and look forward to more communication. Computed Properties of C13H19N5.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 477600-74-1, Name is N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, SMILES is C[C@H]1[C@@H](N(C)C2=C3C(NC=C3)=NC=N2)CNCC1, in an article , author is Philipova, Irena, once mentioned of 477600-74-1, SDS of cas: 477600-74-1.

Synthetic piperine amide analogs with antimycobacterial activity

Piperine amide analogs are synthesized by replacement of the piperidine moiety with different types of cyclic amines, including adamantyl and monoterpene-derived fragments. The compounds are screened for activity against Mycobacterium tuberculosis H37Rv. The most potent compounds are the 1-adamantyl and the monoterpene-derived hybrids, which combine nanomolar antimycobacterial activity with low cytotoxicity against human cells. The presence of quaternary carbon atom as main structural requirement for anti-TB activity is pointed out by a QSAR study. The most promising compound is the (+)-isopinocampheylamine-derived amide which is characterized with selectivity index of 1387.8.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 477600-74-1, you can contact me at any time and look forward to more communication. SDS of cas: 477600-74-1.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Synthetic Route of 4005-49-6, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 4005-49-6, Name is N-(7H-Purin-6-yl)benzamide, SMILES is O=C(NC1=C2NC=NC2=NC=N1)C3=CC=CC=C3, belongs to piperidines compound. In a article, author is Ferreira, Renata C. M., introduce new discover of the category.

The Involvement of the Endocannabinoid System in the Peripheral Antinociceptive Action of Ketamine

A Ketamine has been widely used as an analgesic and produces dissociative anesthetic effects. The antinociceptive effects of ketamine have been studied, but the involvement of endocannabinoids in these effects has not yet been investigated. In this study, we evaluated the involvement of the endocannabinoid system in the peripheral antinociceptive effects induced by ketamine. All drugs were administered via the intraplantar route. To induce hyperalgesia, rat paws were injected with prostaglandin E-2 (2 mu g per paw). The nociceptive threshold for mechanical stimulation was measured in the right hind paw of Wistar rats using the Randall-Selitto test. The tissue levels of anandamide (AEA), 2-arachidonoylglycerol, palmitoylethanolamide, and oleoylethanolamide were measured using liquid chromatography coupled to single quadrupole mass spectrometry. The administration of the cannabinoid receptor type 1 (CB1) antagonist, N(piperidine-1yl)-5-(4-iodophenyl)-1-(2,4-dichloro phenyl)-4-methyl 1 pyrazolcarboxamide (20, 40, and 80 mu g per paw), but not the cannabinoid receptor type 2 antagonist, 6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl) (4-methoxyphenyl) methanone (100 mu g per paw), antagonized the ketamine-induced peripheral antinociception in a dose-dependent manner. Additionally, the administration of the endocannabinoid metabolizing enzyme inhibitor (.5 mu g per paw) or an AEA reuptake inhibitor, (5Z,82,11Z,14Z)N(4Hydroxy2methylphenyl)5,8, 11,14 eicosatetraenamide (2.5 mu g per paw) significantly enhanced low-dose ketamine-induced peripheral antinociception. AEA paw levels were increased only after ketamine administration to prostaglandin E-2-injected paws. These data suggest that ketamine, in the presence of a nociceptive stimulus, induces a selective release of AEA levels and subsequent CB1 cannabinoid activation at the peripheral level. Perspective: This study suggests that ketamine antinociception depends at least in part on AEA release and CB1 cannabinoid receptor activation in inflammatory conditions. This study could potentially help clinicians in the use of ketamine as a peripheral analgesic for inflammatory pain. (C) 2017 by the American Pain Society.

Synthetic Route of 4005-49-6, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 4005-49-6.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , SDS of cas: 2873-29-2, 2873-29-2, Name is (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate, molecular formula is C12H16O7, belongs to piperidines compound. In a document, author is Liu, Guodu, introduce the new discover.

Pyrrolidines and piperidines bearing chiral tertiary alcohols by nickel-catalyzed enantioselective reductive cyclization of N-alkynones

Pyrrolidines and piperidines are important building blocks in organic synthesis. Numerous methods exist for constructing substituted pyrrolidines and piperidines. However, efficient syntheses of pyrrolidines and piperidines bearing chiral tertiary alcohols are limited. Here we report an efficient enantioselective nickel-catalyzed intramolecular reductive cyclization of N-alkynones. A P-chiral bisphosphorus ligand DI-BIDIME is designed and applied in the synthesis of tertiary allylic siloxanes bearing pyrrolidine and piperidine rings in high yields and excellent enantioselectivities, with triethylsilane as reducing reagent. The highest turn over number achieved is 1000 (0.1 mol% catalyst loading) with > 99:1 er. This reaction provides a practical way to synthesize pyrrolidine and piperidine derivatives with chiral tertiary alcohols from easily accessible starting materials under mild conditions. The products can be scaled up and transformed to various useful chiral intermediates. The P-chiral bisphosphorus ligand developed in this study represents one of the few ligands for highly enantioselective cyclization of alkynones.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2873-29-2. SDS of cas: 2873-29-2.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem