Day: April 1, 2022

Formula: C10H8ClN. 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: 4-Chloro-8-methylquinoline, is researched, Molecular C10H8ClN, CAS is 18436-73-2, about Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors.

The purine metabolism of Trypanosoma and Leishmania spp. provides a good target in the search for new selective drugs. Bicyclic N-arylmethyl-substituted iminoribitols were developed as inhibitors of T. vivax nucleoside hydrolase, a key enzyme of the purine salvage pathway. The obtained results and structure-activity data confirmed our model for inhibitor binding with a hydrogen bond between a nitrogen atom of the nucleobase mimetic and the protonated Asp40 from the enzyme. This interaction depends on an optimal pKa value, which can be influenced by the electronic properties of the substituents. These compounds are potent, selective inhibitors of nucleoside hydrolase and are inactive toward human nucleoside phosphorylase.

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Pyrimidine | C4H4N2 – PubChem,
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SDS of cas: 148-51-6. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Amino derivatives of pyridoxine and its analogs. Author is Yakovleva, N. L.; Balyakina, M. V.; Gunar, V. L..

I [(R = OH, R1 = Me, R2 = CH2OH (II); RR1 = OCMe2CH2O, R2 = CHOH; R = OH, R1 = CH2OH, R2 = Me] with OP(NMe2)3 gave III [R = OH, R1 = Me, R2 = CH2NMe2 (IV); R = OH, R1 = CH2OH, R2 = CH2NMe2; R = OH, R1 = CH2 NMe2, R2 = Me]. Heating II with SOCl2 gave I (R = OH, R1 = Me, R2 = CH2Cl), which was transformed to IV by reaction with Me2NH. Reaction of V (R3 = Cl) with HNMe2 gave V (R3 = NMe2).

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Seizures induced by allylglycine, 3-mercaptopropionic acid, and 4-deoxypyridoxine in mice and photosensitive baboons, and different modes of inhibition of cerebral glutamic acid decarboxylase.Related Products of 148-51-6.

The title drugs caused seizures in mice (i.p.) and baboons (i.v.) and, at subconvulsant levels, enhanced photo-induced seizures in baboons. Addition of pyridoxal phosphate [54-47-7] to mouse brain homogenate relieved inhibition of L-glutamate 1-carboxylase [9074-87-7] by 4-deoxypyridoxine-HCl [148-51-6] but not by DL-allylglycine [7685-44-1]. 3-Mercaptopropionic acid [107-96-0] was the most powerful competitive inhibitor of the enzyme.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Bromo-3-methoxypropanoic acid( cas:65090-78-0 ) is researched.Application In Synthesis of 2-Bromo-3-methoxypropanoic acid.Jin, Shu-yun; Yu, Di-hu; Li, Yong published the article 《Study on by-products in N-benzyl-2-bromo-3-methoxypropionamide by mixed anhydride methods》 about this compound( cas:65090-78-0 ) in Huaxue Shijie. Keywords: byproduct benzyl bromo methoxypropionamide mixed anhydride. Let’s learn more about this compound (cas:65090-78-0).

N-Benzyl-2-bromo-3-methoxypropionamide was synthesized from 2-bromo-3-methoxypropionic acid by mixed anhydride methods. The main impurities were separated and analyzed. Furthermore, the mechanism of the production of the main impurities was discussed. The mol. structures of impurities were confirmed by 1 H NMR, 13C NMR, IR.

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Synthetic Route of C10H8ClN. 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: 4-Chloro-8-methylquinoline, is researched, Molecular C10H8ClN, CAS is 18436-73-2, about Study of aminoquinolines. XIV: Long-chain 4-alkylaminoquinolines with potential amebicide activity. Part 2: Effect of the position of nuclear alkyl groups.

Alkylaminoquinolines I (n = 7-17; R = 2-Me, 2-Ph, H, 3-Me; R1 = H, S-Me, 6-Me, 7-Me, 8-Me, 8-Et, 8-CHMe2) were prepared by aminating 4-chloroquinolines. The amebicidal activity of I was maximum when n = 7-9. Methylation of the ring had little effect on amebicidal activity. Some of the chloroquinolines were prepared by treating anilines with EtOCH:C(CO2Et)2 or AcCH2CO2Et, cyclizing, decarboxylating the quinolinecarboxylates, and chlorinating the quinolinol.

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Pyrimidine | C4H4N2 – PubChem,
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Category: pyrimidines. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Design, synthesis and biological evaluation of benzo[cd]indol-2(1H)-one derivatives as BRD4 inhibitors. Author is Feng, Yuxin; Xiao, Senhao; Chen, Yantao; Jiang, Hao; Liu, Na; Luo, Cheng; Chen, Shijie; Chen, Hua.

A series of benzo[cd]indol-2(1H)-one derivatives were designed by structural optimization based on compound I and evaluated for their BRD4 (bromodomain-containing protein 4) inhibitory activity. The results showed that four compounds are the most potential ones with the IC50 values of 1.02 μM, 1.43 μM, 1.55 μM and 3.02 μM. According to their co-crystal structures in complex with BRD4_BD1 and the protein thermal shift assays, the binding modes were revealed that the addnl. indirect hydrogen bonds and hydrophobic interactions make such four compounds more active than I against BRD4. Furthermore, compounds I, 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carbohydrazide and 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carboxylic acid were chosen to evaluate for their antiproliferative activities on the MLL-AF4-expression acute leukemia cell line (MV4-11), other cancer cell lines and the non-cancer cell lines. The results showed that these compounds exhibited good and selective inhibitory activities against MV4-11 cells with the IC50 values of 11.67 μM, 5.55 μM, and 11.54 μM, resp., and could act on the cell proliferation by blocking cell cycle at G1 phase. They could markedly down-regulate the expressions of the c-Myc, Bcl-2 and CDK6 oncogenes in MV4-11 in the qRT-PCR and western blot studies, which further demonstrated that compound I and its derivatives could serve as a promising therapeutic strategy for MLL leukemia by targeting BRD4_BD1 protein.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthesis of hydroxyamino acids and N-methyl derivatives. III. Synthesis of DL-serine and N-methylserine》. Authors are Izumiya, Nobuo.The article about the compound:2-Bromo-3-methoxypropanoic acidcas:65090-78-0,SMILESS:O=C(O)C(Br)COC).Name: 2-Bromo-3-methoxypropanoic acid. Through the article, more information about this compound (cas:65090-78-0) is conveyed.

cf. C.A. 45, 4656e. Exptl. procedures for the synthesis of DL-serine and N-methylserine from CH2:CHCO2H (I) are described. I (14.4 g.) added to 14 g. Hg(OAc)2 in 300 cc. of MeOH, and gave after 2 days 54 g. α-acetoxymercuri-β-methoxypropionic acid, m. 200-4°; to this in 200 cc. water and 36 g. KBr, in direct sunlight, was added dropwise 32 g. Br and 36 g. KBr in 60 cc. water; extraction of the mixture with ether after addition of 33 cc. 48% HBr gave 37 g. crude α-bromo-β-methoxypropionic acid (II), b4 92-5°. Aqueous NH3 with 37 g. II gave the α-amino acid (III), decompose 233-4°, in 34% yield (based on I); Cu salt, C8H16O6N2Cu, scarcely soluble in water; phenylurea, MeOCH2CH(NHCONHPh)CO2H, m. 171-2°; N-(p-tolylsulfonyl) derivative (IV), m. 139-41°. Serine was obtained by boiling crude III with 48% HBr (yield 41%, based on I). Heating IV with MeI and 2 N NaOH 1 hr. in a sealed tube at 70° gave β-methoxy-α-[methyl(p-tolylsulfonyl)amino]propionic acid (V), C12H17O5NS, m. 92°. Heating crude 3.7 g. II and 35% 9 cc. MeNH2 4 hrs. in a sealed tube at 100° gave 0.74 g. β-methoxy- α-(methylamino)propionic acid (VI), m. 233° (decomposition); picrolonate, C15H19O8N5, m. 120-1° (decomposition); Cu salt, C10H20O6N2Cu.3H2O, m. 234° (decomposition). The crude product from II and MeNH2 gave with 48% HBr N-methylserine, m. 203-4° (decomposition), 30% yield (based on I); picrolonate, C14H17O8N5, m. 130-4° (decomposition); Cu salt, C8H16O6N2Cu, m. 197-8° (decomposition). VI was also obtained by hydrolysis of V with concentrated HCl.

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Related Products of 120099-61-8. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Development of peptide epoxyketones as selective immunoproteasome inhibitors. Author is Li, Xuemei; Hong, Duidui; Zhang, Mengmeng; Xu, Lei; Zhou, Yubo; Li, Jia; Liu, Tao.

A series of epoxyketone analogs with varying N-caps and P3-configurations were designed, synthesized and evaluated. We found that D-Ala in P3 was crucial for β5i selectivity over β5c. Notably, compounds (I) (R1 = II) (β5i IC50 = 26.0 nM, 25-fold selectivity) and I (r1 = III) (β5i IC50 = 25.1 nM, 24-fold selectivity) with the D-configuration at P3 were the most selective inhibitors. Although I (R1 = II and III) showed only moderate anti-proliferative activity against RPMI-8226 and MM.1S cell lines, based on our experiments, it indicates that the inhibition of β5i alone is not sufficient to exert anticancer effects and may rely on the complementary inhibition of β1i, β5c and β5i. These data further increase our understanding of immunoproteasome inhibitors in hematol. malignancies.

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Pyrimidine | C4H4N2 – PubChem,
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Quality Control of 4-Chloro-8-methylquinoline. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 4-Chloro-8-methylquinoline, is researched, Molecular C10H8ClN, CAS is 18436-73-2, about Synthesis and photochemistry of two quinoline analogs of the perimidinespirohexadienone family of photochromes. Author is Moerdyk, Jonathan P.; Speelman, Amy L.; Kuper, Kenneth E.; Heiberger, Brian R.; Ter Louw, Ryan P.; Zeller, Daniel J.; Radler, Andrew J.; Gillmore, Jason G..

The authors report the detailed synthesis and photochem. of two analogs (specifically 3,5-di-tert-butyl-7′-methyl- and 3,5-di-tert-butyl-7′,9′-dimethyl-1′,3′-dihydrospirocyclohexa[2,5]diene-1,2′-pyrido[4,3,2-de]quinazolin-4-one) of the perimidinespirohexadienone (3,5-di-tert-butyl-1′,3′-dihydrospirocyclohexa[2,5]diene-1,2′-perimidin-4-one) family of photochromes in which the naphthalene moiety of the parent is replaced by a quinoline, and compare them to the parent compound Molar absorptivities of both the short wavelength spirocyclic isomer (SW) and long wavelength quinonimine isomer (LW) of each were determined by a combination of proton NMR and UV-vis spectroscopy in solvents of varying polarity. Quantum yield measurements for photoisomerization of SW to LW are reported in those same solvents, with qual. extrapolation to addnl. solvents. The position and rate of the thermal equilibrium reverting LW to SW is estimated for these compounds The 9′-Me in SW (6-Me in LW) is found to be essential for complete reversion of LW to SW in the dark. Finally one-dimensional NOE NMR spectroscopy was used to conclusively determine the structure of LW for the quinoline analogs as the 4-(5-aminoquinolin-4-ylimino)-2,6-di-tert-butylcyclohexa-2,5-dienone resulting from opening toward the quinoline nitrogen, rather than the 4-(4-aminoquinolin-5-ylimino) structure that would result from spirocyclic ring opening away from the quinoline nitrogen which had been initially proposed by V.I Minkin et al. (1999) for very similar compounds

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-Methylfuran-2(3H)-one(SMILESS: O=C1OC(C)=CC1,cas:591-12-8) is researched.Electric Literature of C27H36AuClN2. The article 《Co-catalyzed Hydrogenation of Levulinic Acid to γ-Valerolactone under Atmospheric Pressure》 in relation to this compound, is published in ACS Sustainable Chemistry & Engineering. Let’s take a look at the latest research on this compound (cas:591-12-8).

A cobalt-based catalytic system composed of Co(BF4)2·6H2O and ligand P(CH2CH2PPh2)3 was developed for hydrogenation of levulinic acid to γ-valerolactone (GVL), which showed high efficiency for this reaction, affording a GVL yield of 95% under atm. pressure and 100 °C. Co(BF4)2·6H2O combined with P(CH2CH2PPh2)3 is highly efficient for hydrogenation of levulinic acid to γ-valerolactone under atm. pressure.

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