Tag: M.W:200-300

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The effects of groups on the reaction rate. Reaction of α,β-dibromides with sodium iodide》. Authors are Davis, Tenney L.; Heggie, Robert.The article about the compound:2,3-Dibromopropionic acidcas:600-05-5,SMILESS:O=C(O)C(Br)CBr).Recommanded Product: 600-05-5. Through the article, more information about this compound (cas:600-05-5) is conveyed.

The rates of reaction at several temperatures of NaI in alc. with the dibromides of certain unsaturated aliphatic compounds and in Me2CO with the dibromides of substituted chalcones were measured. Good 2nd-order constants were obtained in all cases except those involving MeCHBrCH2Br and PrCHBrCH2Br. Constants of the 1st order were also unsatisfactory for these cases. The reaction of α,β-dibromopropionic acid with NaI was much faster in Me2CO than in alc. In the aliphatic series compounds containing electron-attracting groups reacted much faster than those containing groups which tend to supply electrons. Substituted chalcone dibromides reacted more rapidly than simple chalcone dibromide. The energy of activation, E, was calculated for several reactions and the probability factors were calculated from the equation, K = PZe-E/RT. The Me, Pr and CH2OH groups increased E; the CO2Et and CO2H groups decreased E; 2 CO2H groups had more effect than one; the effect of one CO2H was greater than the opposing effect of a Me group. A CO2H group reduced P; a 2nd CO2H group increased P, but not to the value possessed by the compound containing H instead of CO2H.

Different reactions of this compound(2,3-Dibromopropionic acid)Recommanded Product: 600-05-5 require different conditions, so the reaction conditions are very important.

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Computed Properties of C11H22N2O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Boc-4-(Aminomethyl)piperidine, is researched, Molecular C11H22N2O2, CAS is 144222-22-0, about Design, synthesis, and biological evaluation of 1,2,5-oxadiazole-3-carboximidamide derivatives as novel indoleamine-2,3-dioxygenase 1 inhibitors. Author is Song, Xiaohan; Sun, Pu; Wang, Jiang; Guo, Wei; Wang, Yi; Meng, Ling-hua; Liu, Hong.

A novel series of 1,2,5-oxadiazole-3-carboximidamide derivatives I [R = (1-sulfamoylpyrrolidin-3-yl)methyl, (1-methanesulfonylpyrrolidin-3-yl)methyl, [1-(cyclopropanesulfonyl)piperidin-3-yl]methyl, etc] bearing cycle in the side chain were designed, synthesized, and biol. evaluated for their anti-tumor activity. Most of them exhibited potent activity against hIDO1 in enzymic assays and in HEK293T cells over-expressing hIDO1. Among them, compound I [R = [(3R)-1-sulfamoylpyrrolidin-3-yl]methyl, [(3R)-1-sulfamoylpiperidin-3-yl]methyl, [(3S)-1-sulfamoylpiperidin-3-yl]methyl] showed significant inhibitory activity against hIDO1 (IC50 = 108.7, 178.1 and 139.1 nM resp.) and in HEK293T cells expressing hIDO1 (cellular IC50 = 19.88, 68.59 and 57.76 nM resp.). Moreover, compound I [R = [(3R)-1-sulfamoylpiperidin-3-yl]methyl] displayed improved PK property with longer half-life (t1/2 = 3.81 h in CD-1 mice) and better oral bioavailability (F = 33.6%) compared with epacadostat. In addition, compound I [R = [(3R)-1-sulfamoylpiperidin-3-yl]methyl] showed similar potency to inhibit the growth of CT-26 syngeneic xenograft compared to epacadostat, making it justifiable for further investigation.

The article 《Design, synthesis, and biological evaluation of 1,2,5-oxadiazole-3-carboximidamide derivatives as novel indoleamine-2,3-dioxygenase 1 inhibitors》 also mentions many details about this compound(144222-22-0)Computed Properties of C11H22N2O2, you can pay attention to it or contacet with the author([email protected]; [email protected]) to get more information.

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1-Boc-4-(Aminomethyl)piperidine( cas:144222-22-0 ) is researched.Name: 1-Boc-4-(Aminomethyl)piperidine.Li, Qilan; Lomonosova, Elena; Donlin, Maureen J.; Cao, Feng; O’Dea, Austin; Milleson, Brienna; Berkowitz, Alex J.; Baucom, John-Charles; Stasiak, John P.; Schiavone, Daniel V.; Abdelmessih, Rudolf G.; Lyubimova, Anastasiya; Fraboni, Americo J.; Bejcek, Lauren P.; Villa, Juan A.; Gallicchio, Emilio; Murelli, Ryan P.; Tavis, John E. published the article 《Amide-containing α-hydroxytropolones as inhibitors of hepatitis B virus replication》 about this compound( cas:144222-22-0 ) in Antiviral Research. Keywords: hepatitis B virus replication amide alpha hydroxytropolone; Hepatitis B Virus; Molecular modeling; Ribonuclease H; α-Hydroxytropolones. Let’s learn more about this compound (cas:144222-22-0).

The Hepatitis B Virus (HBV) RNase H (RNaseH) is a promising but unexploited drug target. Here, we synthesized and analyzed a library of 57 amide-containing α-hydroxytropolones (αHTs) as potential leads for HBV drug development. Fifty percent effective concentrations ranged from 0.31 to 54μM, with selectivity indexes in cell culture of up to 80. Activity against the HBV RNaseH was confirmed in semi-quant. enzymic assays with recombinant HBV RNaseH. The compounds were overall poorly active against human RNase H1, with 50% inhibitory concentrations of 5.1 to >1,000μM. The aHTs had modest activity against growth of the fungal pathogen Cryptococcus neoformans, but had very limited activity against growth of the Gram – bacterium Escherichia coli and the Gram + bacterium Staphylococcus aureus, indicating substantial selectivity for HBV. A mol. model of the HBV RNaseH templated against the Ty3 RNaseH was generated. Docking the compounds to the RNaseH revealed the anticipated binding pose with the divalent cation coordinating motif on the compounds chelating the two Mn++ ions modeled into the active site. These studies reveal that that amide aHTs can be strong, specific HBV inhibitors that merit further assessment toward becoming anti-HBV drugs.

The article 《Amide-containing α-hydroxytropolones as inhibitors of hepatitis B virus replication》 also mentions many details about this compound(144222-22-0)Name: 1-Boc-4-(Aminomethyl)piperidine, you can pay attention to it or contacet with the author([email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]; [email protected]) to get more information.

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Preparation of esters of acrylic acid》. Authors are Kobeko, P. P.; Koton, M. M.; Florinskii, F. S..The article about the compound:2,3-Dibromopropionic acidcas:600-05-5,SMILESS:O=C(O)C(Br)CBr).Application In Synthesis of 2,3-Dibromopropionic acid. Through the article, more information about this compound (cas:600-05-5) is conveyed.

KHSO4 200, anhydrous Na2SO4 40 g. and dry glycerol 129 cc. were heated in a 1-l. Cu flask, provided with a condenser for removal of acrolein and a dropping funnel for addition of glycerol, until acrolein appeared in the condenser; then 500 cc. more dry glycerol was added by drops for 5-6 hrs. at 200°. To the acrolein obtained was added Br in ether by drops for 3 hrs., while the reaction mixture was cooled; the product was heated on a water bath. The CH2BrCHBrCHO was oxidized with HNO3 (d. 1.41) while cooling in ice-NaCl mixture The liquid was evaporated, the product was filtered out, washed with cold HNO3 (d. 1.41) and heated in a water bath to remove the residue of HNO3. The CH2BrCHBrCO2H was esterified with EtOH, BuOH, and iso-AmOH, resp., in the presence of HCl. Et ester, b. 211-14°; Bu ester, b4 105°, b12 135-7°; iso-Am ester b2 110-12°, b12 125-30°. The esters were debrominated by adding their emulsions (100 cc. of ester and 20 cc. of 20% H2SO4) by drops to EtOH and Zn shavings and heating at 78-80° for 4 hrs. The product after removal of the solids was washed with ether and with water, and then was treated in the usual way. The yield of acrylic esters was 75.8%: Et, b. 98-9°, b12 49° d20 0.9125; Bu, b. 128-30°, b12 66-8°, d20 0.9141; iso-Am, b. 149-51°, b12 73-5°, d20 0.9160. The esters were polymerized at high temperature and on standing in the presence of light at room temperature

The article 《Preparation of esters of acrylic acid》 also mentions many details about this compound(600-05-5)Application In Synthesis of 2,3-Dibromopropionic acid, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-Boc-4-(Aminomethyl)piperidine(SMILESS: NCC1CCN(C(OC(C)(C)C)=O)CC1,cas:144222-22-0) is researched.Application In Synthesis of 2,3-Dibromopropionic acid. The article 《Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:144222-22-0).

Tryptophan 2,3-dioxygenase (TDO2) is a heme-containing enzyme constitutively expressed at high concentrations in the liver and responsible for L-tryptophan (L-Trp) homeostasis. Expression of TDO2 in cancer cells results in the inhibition of immune-mediated tumor rejection due to an enhancement of L-Trp catabolism via the kynurenine pathway. In the study herein, we disclose a new 6-(1H-indol-3-yl)-benzotriazole scaffold of TDO2 inhibitors developed through rational design, starting from existing inhibitors. Rigidification of the initial scaffold led to the synthesis of stable compounds displaying a nanomolar cellular potency and a better understanding of the structural modulations that can be accommodated inside the active site of hTDO2.

The article 《Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase》 also mentions many details about this compound(144222-22-0)Safety of 1-Boc-4-(Aminomethyl)piperidine, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Computed Properties of C11H22N2O2. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-Boc-4-(Aminomethyl)piperidine, is researched, Molecular C11H22N2O2, CAS is 144222-22-0, about Discovery and Development of a Potent, Selective, and Orally Bioavailable CHK1 Inhibitor Candidate: 5-((4-((3-Amino-3-methylbutyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)picolinonitrile.

Checkpoint kinase 1 (CHK1) plays an important role in the DNA damage response pathway, being a potential anti-cancer drug target. In this study, we used a strategy for trifluoromethyl substitution to obtain orally bioavailable CHK1 inhibitors to overcome the limitations of lead compound 1, which can only be administered i.v. After detailed investigation, we identified compound 6c as an oral CHK1 inhibitor, which demonstrated a considerably higher plasma exposure in mice. Compound 6c also showed good kinase selectivity. Moreover, it exhibited a significant antiproliferative effect in MV-4-11 cells singly and a synergistic effect in combination with gemcitabine in HT-29, A549, and RPMI-8226 cells. Addnl., compound 6c could inhibit tumor growth in the MV-4-11 xenograft mouse model. The combination of 6c and gemcitabine exhibited synergistic effect in the HT-29 xenograft mouse model. Thus, compound 6c was found to be a selective and oral potential anticancer CHK1 inhibitor.

The article 《Discovery and Development of a Potent, Selective, and Orally Bioavailable CHK1 Inhibitor Candidate: 5-((4-((3-Amino-3-methylbutyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)picolinonitrile》 also mentions many details about this compound(144222-22-0)Computed Properties of C11H22N2O2, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 600-05-5, is researched, SMILESS is O=C(O)C(Br)CBr, Molecular C3H4Br2O2Journal, Pramana called Quantum entanglement in the NMR implementation of the Deutsch-Jozsa algorithm, Author is Arvind; Dorai, Kavita; Kumar, Anil, the main research direction is quantum entanglement NMR implementation Deutsch Jozsa algorithm; computing quantum NMR bromopropionic acid.Recommanded Product: 600-05-5.

A scheme to execute an n-bit Deutsch-Jozsa (DJ) algorithm using n qubits was implemented for up to three qubits on an NMR quantum computer. For the 1- and the two-bit Deutsch problem, the qubits do not get entangled, and the NMR implementation is achieved without using spin-spin interactions. It is for the three-bit case, that the manipulation of entangled states becomes essential. The interactions through scalar J-couplings in NMR spin systems were exploited to implement entangling transformations required for the three bit DJ algorithm.

The article 《Quantum entanglement in the NMR implementation of the Deutsch-Jozsa algorithm》 also mentions many details about this compound(600-05-5)Recommanded Product: 600-05-5, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 600-05-5, is researched, Molecular C3H4Br2O2, about Mutagenic activation of tris(2,3-dibromopropyl)phosphate: the role of microsomal oxidative metabolism, the main research direction is Salmonella mutation tris dibromopropylphosphate; mutagen metabolic activation flame retardant.Related Products of 600-05-5.

The flame retardant tris(2,3-dibromopropyl)phosphate (Tris-BP) [126-72-7] was converted to products which were mutagenic for Salmonella typhimurium TA 100 in the presence of rat liver microsomes, NADPH, and O. Other bromopropyl compounds were also mutagenic; 2,3-dibromopropene [513-31-5] and 2,3-dibromopropionic acid [600-05-5] were directly mutagenic, whereas 2,3-dibromopropanol [96-13-9] and tris(2-bromopropyl)phosphate [31858-09-0] were weakly mutagenic after addition of liver microsomes and cofactors. Typical in vivo and in vitro inhibitors of cytochrome P-450 inhibited Tris-BP mutagenicity. The effects of inducers of cytochrome P-450 on Tris-BP mutagenicity was dependent on the concentration of mutagen and microsomal protein in the assay, indicating complexity in the kinetics involved when dealing with possible multiple paths that lead to mutagenicity. Addition of glutathione strongly inhibited Tris-BP mutagenicity. Tris-BP may be oxidized to a reactive electrophile, possibly the 2-keto derivative, which could react with nucleophilic groups in DNA and thus lead to mutagenic events.

The article 《Mutagenic activation of tris(2,3-dibromopropyl)phosphate: the role of microsomal oxidative metabolism》 also mentions many details about this compound(600-05-5)Related Products of 600-05-5, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Determination of the relative signs of proton-proton spin a coupling constants》. Authors are McLauchlan, K. A..The article about the compound:2,3-Dibromopropionic acidcas:600-05-5,SMILESS:O=C(O)C(Br)CBr).Electric Literature of C3H4Br2O2. Through the article, more information about this compound (cas:600-05-5) is conveyed.

cf. CA 57, 306d, 13322d. Three different methods, accurate analysis, double irradiation, and doublequantum spectra, by which the relative signs of proton-proton spin coupling constants can be determined, are discussed. In particular, each is applied to the 1,2-dibromopropionic acid mol. which contains geminate and vicinal couplings of opposite sign. The double-quantum spectrum gave the relative signs in a particularly simple manner.

The article 《Determination of the relative signs of proton-proton spin a coupling constants》 also mentions many details about this compound(600-05-5)Electric Literature of C3H4Br2O2, you can pay attention to it, because details determine success or failure

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2,3-Dibromopropionic acid, is researched, Molecular C3H4Br2O2, CAS is 600-05-5, about Fourier transform double-resonance NMR on two- and three-spin systems, the main research direction is NMR Fourier transform strong coupling.Reference of 2,3-Dibromopropionic acid.

The flip angle dependence of the line intensities in gated double-resonance FT NMR experiments on the stongly coupled spin systems 2,3-dibromothiophene, 1,2,3-trichlorobenzene, vinyl acetate, and 2,3-dibromopropionic acid follow the theory of S. Shaublin, A. Hohener, and R. R. Ernest (1974). A general method for anal. of the flip-angle-dependent intensities in terms of spin level population differences is described, and it is demonstrated that the variation of line intensities with flip angle is sensitive to the relative signs of spin-spin couplings and to the mechanism of spin relaxation.

After consulting a lot of data, we found that this compound(600-05-5)Reference of 2,3-Dibromopropionic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem