Tag: M.W=500-600

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Huang, Huoming, once mentioned the application of 41556-26-7, Name is Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate, molecular formula is C30H56N2O4, molecular weight is 508.78, MDL number is MFCD00134706, category is piperidines. Now introduce a scientific discovery about this category, Application In Synthesis of Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate.

Discovery of 3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxypheny1)-N-phenylpiperidine-1-carboxamide as novel potent analgesic

Management of moderate to severe pain by clinically used opioid analgesics is associated with a plethora of side effects. Despite many efforts have been dedicated to reduce undesirable side effects, moderate progress has been made. In this work, starting from Tramadol, a series of 3-((dimethylamino)methyl)-4hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxamide derivatives were designed and synthesized, and their in vitro and in vivo activities were evaluated. Our campaign afforded selective opioid receptor (MOR) ligand 2a (K-i (MOR): 7.3 +/- 0.5 nM; K-iDOR: 849.4 +/- 96.6 nM; K-i KOR: 49.1 +/- 6.9 nM) as potent analgesic with ED50 of 3.1 mg/kg in 55 degrees C hot plate model. Its antinociception effect was blocked by opioid antagonist naloxone. High binding affinity toward MOR of compound 2a was associated with water bridge, salt bridge, hydrogen bond and hydrophobic interaction with MOR. The high selectivity of compound 2a for MOR over delta opioid receptor (DOR) and kappa opioid receptor (KOR) was due to steric hindrance of compound 2a with DOR and KOR. 2a, a compound with novel scaffold, could serve as a lead for the development of novel opioid ligands. (C) 2020 Elsevier Masson SAS. All rights reserved.

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

 

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products, SDS of cas: 201341-05-1, 201341-05-1, Name is Tenofovir disoproxil, molecular formula is C19H30N5O10P, belongs to piperidines compound. In a document, author is Xu, Li-Ping, introduce the new discover.

Reactivity and Selectivity Controlling Factors in the Pd/ Dialkylbiarylphosphine-Catalyzed C-C Cleavage/Cross-Coupling of an N-Fused Bicyclo alpha-Hydroxy-beta-Lactam

Density functional theory was employed in order to elucidate the mechanism and factors that lead to the observed regioselectivity in the dialkylbiarylphosphine (Phos)/Pd-catalyzed C-C cleavage/cross-coupling of an N-fused bicyclo alpha-hydroxy-beta-lactam, 1. We have identified that (a) a complex [(1)(Cs2CO3)]-PdL(PhBr) forms prior to a base-mediated oxidative addition; (b) Cs-carbonate (rather than a halide) deprotonates the alcohol substrate in the lowest energy pathway en route to Pd-alcoholate formation; (c) reactions using Phos ligands bearing OCF3 and OCF2H substituents on the B-ring are predicted to be selective toward proximal ring opening of 1; (d) steric repulsion between the bottom B-ring of the Phos ligand and the piperidine moiety of 1 controls the regioselectivity of the C-C cleavage followed by cross-coupling; and (e) the alpha- vs beta-selective functionalization of the piperidine moiety in 1 is influenced by the bulkiness of the R-2-substituent of the coupling partner. These studies will aid in the design of selective functionalizations of the piperidine moiety in 1.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 201341-05-1. SDS of cas: 201341-05-1.

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

 

Electric Literature of 41556-26-7, 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. 41556-26-7, Name is Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate, SMILES is O=C(OC1CC(C)(C)N(C)C(C)(C)C1)CCCCCCCCC(OC2CC(C)(C)N(C)C(C)(C)C2)=O, belongs to piperidines compound. In a article, author is Ramalingam, Arulraj, introduce new discover of the category.

Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-2,6-Bis(4-Chlorophenyl)-3-Methylpiperidin-4-One

The 3-chloro-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-one (CCMP) compound have been characterized by FT-IR,H-1-NMR,C-13-NMR,H-1-H-1 NOESY spectroscopy and single-crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space groupPna21. The single crystal measurements reveal a distorted chair conformation [puckering parameter Q = 0.557 (3) A degrees; theta = 167.8 (3)degrees and psi = 206.8 (13)degrees]. The optimized geometric parameters and frequency values were theoretically calculated using DFT/B3LYP method with B3LYP/6-31+G(d,p) basis set. The XRD single crystal measurement parameters are good agreed with the optimized parameters. The spectral and optimized parameters showed that the piperidine-4-one ring adopts normal chair conformation with equatorial orientations of all the substituents except chlorine. The frontier molecular orbitals HOMO and LUMO were computed to know the chemical reactivity and kinetic stability of the molecular compound. Hirshfeld surface analysis was also performed. Hirshfeld surface analysis (d(norm)surface, two-dimensional fingerprint plots and molecular electrostatic potantials) revealed the nature of intermolecular interactions. The most important contributions for the crystal packing are from H center dot center dot center dot H (35%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (32.3%), C center dot center dot center dot H/H center dot center dot center dot C (15%) and O center dot center dot center dot H/H center dot center dot center dot O (7.5%) interactions. Graphic In this study, spectroscopic properties of a new piperidine-4-one crystal compound and it’s DFT structural investigation compared with experimental were gained to literature. [GRAPHICS] .

Electric Literature of 41556-26-7, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 41556-26-7.

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

 

In an article, author is Akovantseva, A. A., once mentioned the application of 201341-05-1, Computed Properties of C19H30N5O10P, Name is Tenofovir disoproxil, molecular formula is C19H30N5O10P, molecular weight is 519.44, MDL number is MFCD00952920, category is piperidines. Now introduce a scientific discovery about this category.

Impregnation of Polycarbonate by Paramagnetic Probe 2,2,6,6-Tetramethyl-4-Hydroxy-Piperidine-1-Oxyl (TEMPOL) in Supercritical CO2

The aim of the research was to test the advantages of spin probe electron paramagnetic resonance approach in studying polymers impregnation with organic molecules in supercritical CO2 (scCO(2)) The impregnation of bisphenol A polycarbonate with the spin probe TEMPOL was carried out at 307-343 K and 11.6-35 MPa. The mean and local concentrations of the spin probe in the polymer were evaluated. An increase in temperature and pressure resulted in a more even distribution of the dopant in the polymer matrix. It was observed that, at 307 K and 19.6 MPa, the spin probe was located only near the surface of the sample. Local mobility of the spin probe molecules was found to be similar in polycarbonate films impregnated in scCO(2) and cast from dichloroethane solution. It was shown that changes in the structure of the surface and bulk of the polymer detected by the atomic force and optical polarization microscopy are not directly related with the distribution of the dopant molecules and their average content in the polymer.

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

 

Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 41556-26-7, Name is Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate, molecular formula is , belongs to piperidines compound. In a document, author is Kiso, Tetsuo, Product Details of 41556-26-7.

ASP8477, a fatty acid amide hydrolase inhibitor, exerts analgesic effects in rat models of neuropathic and dysfunctional pain

Exogenous cannabinoid receptor agonists are clinically effective for treating chronic pain but frequently cause side effects in the central nervous system. Fatty acid amide hydrolase (FAAH) is a primary catabolic enzyme for anandamide, an endogenous cannabinoid agonist. 3-Pyridyl 4-(phenylcarbamoyl)piperidine-1-carboxylate (ASP8477) is a potent and selective FAAH inhibitor that is orally active and able to increase the brain anandamide level and is effective in rat models of neuropathic and osteoarthritis pain without causing motor coordination deficits. In the present study, we examined the pharmacokinetics and pharmacodynamics, analgesic spectrum in pain models, and the anti-nociceptive mechanism of ASP8477. Single and four-week repeated oral administration of ASP8477 ameliorated mechanical allodynia in spinal nerve ligation rats with similar improvement rates. Further, single oral administration of ASP8477 improved thermal hyperalgesia and cold allodynia in chronic constriction nerve injury rats. ASP8477 also restored muscle pressure thresholds in reserpine-induced myalgia rats. This analgesic effect of ASP8477 persisted for at least 4 h, consistent with the inhibitory effect observed in an ex vivo study using rat brain as well as the increasing effect on oleoylethanolamide and palmitoylethanolamide levels but not the ASP8477 concentration in rat brain. ASP8477 also improved alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)-, N-methyl-D-aspartic acid (NMDA)-, prostaglandin E-2-, prostaglandin F-2(alpha)-, and bicuculline-induced allodynia in mice, showing broader analgesic spectra than existing drugs. In contrast, however, ASP8477 did not affect acute pain. These results indicate that the FAAH inhibitor ASP8477 exerts analgesic effects on neuropathic and dysfunctional pain, and its pharmacological properties are suitable for use in treating chronic pain.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 41556-26-7, in my other articles. Product Details of 41556-26-7.

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

 

Related Products of 201341-05-1, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 201341-05-1, Name is Tenofovir disoproxil, SMILES is O=C(OC(C)C)OCOP(OCOC(OC(C)C)=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)=O, belongs to piperidines compound. In a article, author is Grygorenko, Oleksandr O., introduce new discover of the category.

Synthesis of saturated nitrogen heterocycles by Strecker reaction – nucleophilic cyclization

Approaches to alpha-cyanopyrrolidines, -piperidines, and -azepanes, as well as their bi- and polycyclic analogues are surveyed, which are based on Strecker reaction – intramolecular nucleophilic cyclization. The reactions are categorized according to the nature of the internal electrophile participating in the cyclization step, i.e. carboxylic acid or its derivative, carbonyl compound, or alkylating agent. Special attention is paid to one -pot tandem Strecker reaction – S(N)2-type nucleophilic cyclization (STRINC), or cyanide-induced dynamic intramolecular cyclization, which is an efficient and convenient approach to various mono- and bicyclic alpha-amino nitriles and alpha-amino acids. (C) 2020 Elsevier Ltd. All rights reserved.

Related Products of 201341-05-1, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 201341-05-1.

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

 

In an article, author is Kowalska, Alicja, once mentioned the application of 41556-26-7, Name is Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate, molecular formula is C30H56N2O4, molecular weight is 508.78, MDL number is MFCD00134706, category is piperidines. Now introduce a scientific discovery about this category, SDS of cas: 41556-26-7.

Synthesis and anticancer activity of multisubstituted purines and xanthines with one or two propynylthio and aminobutynylthio groups

A synthesis of new 2,6-disubstituted and 2,6,8-trisubstituted 7-methylpurines as well as 8-substituted 3,7-dimethylxanthines containing a triple bond chain have been worked out. Purinethiones and xanthinethiones were converted into propynylthio derivatives, which were then further transformed via a Mannich reaction into aminobutynylthio derivatives (amine = pyrrolidine, piperidine, morpholine, and diethylamine). The products thus obtained represent various types of the purine and xanthine structure: 8-mono-, 2,6- and 6,8-dipropynylthio, 6- and 8-monoaminobutynylthio, 2,6- and 6,8-diaminobutynylthio derivatives. All of these compounds were tested for their anticancer activity against human glioblastoma SNB-19, human adenocarcinoma MDA-MB-231, and melanoma C-32 cell lines. The anticancer activity depends on the nature of the substituent and its localization in the purine and xanthine framework. Generally, compounds possessing two alkynylthio groups (propynylthio or aminobutynylthio) were more active than those possessing only one group. Some compounds exhibited stronger or similar anticancer activity to cisplatin. All compounds were also tested for their cytotoxic activity against normal human fibroblasts (HFF-1). The most promising anticancer compounds were found to be 2,6-dipropynylthio-7-methylpurine 4, 2-chloro-6,8-dipropynylthio-7-methylpurine 14, and 2-chloro-6,8-di(N-morpholinylbutynylthio)-7-methylpurine 15c acting selectively on glioblastoma SNB-19, melanoma C-32, and adenocarcinoma MDA-MB-231 with the IC50 = 0.07-4.08 mu g/mL.

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

 

Reference of 41556-26-7, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 41556-26-7, Name is Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate, SMILES is O=C(OC1CC(C)(C)N(C)C(C)(C)C1)CCCCCCCCC(OC2CC(C)(C)N(C)C(C)(C)C2)=O, belongs to piperidines compound. In a article, author is Lazewska, Dorota, introduce new discover of the category.

Novel naphthyloxy derivatives – Potent histamine H-3 receptor ligands. Synthesis and pharmacological evaluation

A series of 1- and 2-naphthyloxy derivatives were synthesized and evaluated for histamine H-3 receptor affinity. Most compounds showed high affinities with K-i values below 100 nM. The most potent ligand, 1-(5-(naphthalen-1-yloxy) pentyl)azepane (11) displayed high affinity for the histamine H-3 receptor with a Ki value of 21.9 nM. The antagonist behaviour of 11 was confirmed both in vitro in the cAMP assay (IC50=312 nM) and in vivo in the rat dipsogenia model (ED50=3.68 nM). Moreover, compound 11 showed positive effects on scopolamine induced-memory deficits in mice (at doses of 10 and 15 mg/kg) and an analgesic effect in the formalin test in mice with ED50=30.6 mg/kg (early phase) and ED50=20.8 mg/kg (late phase). Another interesting compound, 1-(5-(Naphthalen-1-yloxy)pentyl)piperidine (13; H3R K-i=53.9 nM), was accepted for Anticonvulsant Screening Program at the National Institute of Neurological Disorders and Stroke/National Institute of Health (Rockville, USA). The screening was performed in the maximal electroshock seizure (MES), the subcutaneous pentylenetetrazole (scPTZ) and the 6-Hz psychomotor animal models of epilepsy. Neurologic deficit was evaluated by the rotarod test. Compound 13 inhibited convulsions induced by the MES with ED50 of 19.2 mg/kg (mice, i.p.), 17.8 (rats, i.p.), and 78.1 (rats, p.o.). Moreover, 13 displayed protection against the 6-Hz psychomotor seizures (32 mA) in mice (i.p.) with ED50 of 33.1 mg/kg and (44 mA) ED50 of 57.2 mg/kg. Furthermore, compounds 11 and 13 showed in vitro weak influence on viability of tested cell lines (normal HEK293, neuroblastoma IMR-32, hepatoma HEPG2), weak inhibition of CYP3A4 activity, and no mutagenicity. Thus, these compounds may be used as leads in a further search for histamine H3 receptor ligands with promising in vitro and in vivo activity. (C) 2018 Published by Elsevier Ltd.

Reference of 41556-26-7, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 41556-26-7.

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

 

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.201341-05-1, Name is Tenofovir disoproxil, SMILES is O=C(OC(C)C)OCOP(OCOC(OC(C)C)=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)=O, belongs to piperidines compound. In a document, author is Hristova, S., introduce the new discover, Computed Properties of C19H30N5O10P.

A concept for stimulated proton transfer in 1-(phenyldiazenyl)naphthalen-2-ols

A series of aryl azo derivatives of naphthols (1-3) were studied by means of UV Vis and NMR spectroscopy in different solvents as well as by quantum chemical calculations and X-ray analysis. Previous studies have shown that Sudan I (1) exists as a tautomeric mixture. The effect of the solvents is minimized by the existing intramolecular hydrogen bond. Therefore, the influence on the tautomeric state in structurally modified 1 has been investigated. Structure 2 contains an additional OH-group, which deprotonates easily and affects the position of the tautomeric equilibrium by changing the electronic properties of the substituent. The implementation of a sidearm in 3 creates a condition for competition between the nitrogen from the azo group and from the piperidine unit for the tautomeric proton. In this case the use of acid as a stimulus for controlling the tautomeric process was achieved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 201341-05-1. Computed Properties of C19H30N5O10P.

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

 

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 201341-05-1, Name is Tenofovir disoproxil, SMILES is O=C(OC(C)C)OCOP(OCOC(OC(C)C)=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)=O, in an article , author is Wang, Ye, once mentioned of 201341-05-1, Recommanded Product: Tenofovir disoproxil.

Impurity profiling of alfentanil hydrochloride by liquid chromatography/quadrupole time-of-flight high-resolution mass spectrometric techniques for drug enforcement

Rationale Fentanyl and its analogues play important roles in the hospital and clinic setting as anesthetics. However, illicitly manufactured fentanyl as well as the new psychoactive substances (NPS) account for 30% of all deaths in the United States. Since fentanyl derivatives and NPS are designed to produce similar effects, their related substances are similar or even have the same active groups. A comprehensive analysis of the related substances of alfentanil hydrochloride can provide a basis for the identification and supervision of fentanyl derivatives and NPS. Methods A liquid chromatography/quadrupole time-of-flight tandem mass spectrometry (LC/QTOF-MS/MS) method was developed for the separation and characterization of related substances in alfentanil hydrochloride. Degradation studies were conducted according to the ICH-prescribed stress conditions. The compounds were identified mainly through positive electrospray ionization QTOF high-resolution mass spectrometric measurements of the accurate masses of the precursor and product ions and their calculated elemental compositions. Their formation mechanisms were also discussed. Results Seventeen related substances were detected in alfentanil hydrochloride and its stressed samples. Among them, nine were process-related substances and the other eight were degradation products. The stress study results demonstrated that alfentanil hydrochloride was unstable under acid, alkaline, and oxidative stress conditions, while relatively stable under dry photolytic and thermal stress conditions. Alfentanil hydrochloride was most susceptible for degradation at theN-phenylpropanamide and piperidine sites. Conclusions Process-related alfentanil hydrochloride compounds are useful for determination of synthetic routes and entangling of fentanyl analogues. The stress study results can provide a sound scientific basis for the waste water monitoring of alfentanil. These results are important for routine quality control in the manufacturing and storage of alfentanil hydrochloride, as well as for drug enforcement of fentanyl and its analogues.

Interested yet? Read on for other articles about 201341-05-1, you can contact me at any time and look forward to more communication. Recommanded Product: Tenofovir disoproxil.

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