Day: April 8, 2022

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: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, Catalysis Today called Mechanism study on asymmetric Michael addition reaction between alkynone and α-angelica lactone catalyzed by chiral N, N’-dioxide-Sc(III) complex, Author is Zuo, Yini; Meng, Xiangxiang; Hu, Changwei; Li, Jing; Su, Zhishan, the main research direction is butenolide alkynone scandium catalyst Michael addition mechanism bond order.Safety of 5-Methylfuran-2(3H)-one.

The reaction mechanism and enantioselectivity of asym. Michael addition reaction between alkynone (R1) with α-angelica lactone (R2) catalyzed by chiral N, N’-dioxide-Sc(III) complex were investigated at the M06/6-31G(d,p) (acetonitrile, SMD) level. The α-angelica lactone substrate could isomerize to the active enolized form in the presence of Sc(OTf)3 reagent, assisted by the counter trifluoromethanesulfonate anion OTf-. The alkynone substrate and enolized angelica lactone (or its anion) coordinated to Sc(III) center of N,N’-dioxide-Sc(III) complex catalyst simultaneously, forming a high active hexacoordinate-Sc(III) complex. The catalytic reaction occurred via a two-step mechanism, in which C2-Cγ bond formation was predicted to be the chirality-controlling step as well as the rate-determining step, affording predominant S-enantiomer. The counterion OTf- facilitated C-H construction as a proton-shuttle, producing mainly E-configuration product observed in experiment The steric repulsion from the ortho-substituent of amide moiety as well as the chiral backbone of N, N’-dioxide-Sc(III) catalyst played the key role for chiral induction in the asym. reaction. The less destabilizing Pauli repulsion and more stabilizing attractive interaction, especially the orbital interaction, along the si-face attack pathway enhanced the enantiodifference of the two competing pathways for high enantioselectivity. The energy barriers for E/Z isomerization of S or R-enantiomer assisted by HOTf was as high as 34.6-35.0 kcal mol-1, indicating that the product with Z-conformation was difficult to be obtained. These results were in good agreement with exptl. observations.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Product Details of 276684-04-9. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid, is researched, Molecular C10H6Cl2N2O2, CAS is 276684-04-9, about Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors. Author is DiMauro, Erin F.; Altmann, Stephen; Berry, Loren M.; Bregman, Howard; Chakka, Nagasree; Chu-Moyer, Margaret; Bojic, Elma Feric; Foti, Robert S.; Fremeau, Robert; Gao, Hua; Gunaydin, Hakan; Guzman-Perez, Angel; Hall, Brian E.; Huang, Hongbing; Jarosh, Michael; Kornecook, Thomas; Lee, Josie; Ligutti, Joseph; Liu, Dong; Moyer, Bryan D.; Ortuno, Daniel; Rose, Paul E.; Schenkel, Laurie B.; Taborn, Kristin; Wang, Jean; Wang, Yan; Yu, Violeta; Weiss, Matthew M..

The majority of potent and selective hNaV1.7 inhibitors possess common pharmacophoric features that include a heteroaryl sulfonamide headgroup and a lipophilic aromatic tail group. Recently, reports of similar aromatic tail groups in combination with an acyl sulfonamide headgroup have emerged, with the acyl sulfonamide bestowing levels of selectivity over hNaV1.5 comparable to the heteroaryl sulfonamide. Beginning with com. available carboxylic acids that met selected pharmacophoric requirements in the lipophilic tail, a parallel synthetic approach was applied to rapidly generate the derived acyl sulfonamides. A biaryl acyl sulfonamide hit from this library was elaborated, optimizing for potency and selectivity with attention to physicochem. properties. The resulting novel leads are potent, ligand and lipophilic efficient, and selective over hNaV1.5. Representative lead I demonstrates selectivity over other human NaV isoforms and good pharmacokinetics in rodents. The biaryl acyl sulfonamides reported herein may also offer ADME advantages over known heteroaryl sulfonamide inhibitors.

Here is just a brief introduction to this compound(276684-04-9)Product Details of 276684-04-9, more information about the compound(5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid) is in the article, you can click the link below.

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Pyrimidine | C4H4N2 – PubChem,
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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Effects of alterations in the metabolism of γ-aminobutyrate on convulsant potencies, published in 1977-12-31, which mentions a compound: 148-51-6, Name is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, Molecular C8H12ClNO2, Application of 148-51-6.

Drugs that alter γ-aminobutyrate (GABA) [56-12-2] metabolism and presumably affect the availability of GABA in synaptic regions were tested for their relative effects on the potencies of 4 convulsants: 3-mercaptopropionate (3-MP) [107-96-0], pentamethylenetetrazole (PTZ) [54-95-5], bicuculline [485-49-4], and picrotoxin [124-87-8] in mice. Aminooxyacetic acid hemichloride [2921-14-4] given prior to the convulsant tended to decrease the potency of 3-MP more than that of PTZ. It decreased the potency of bicuculline more than that of PTZ but less than that of 3-MP, and did not alter that of picrotoxin. Thiocarbohydrazide (TCH) [2231-57-4], DL-C-allylglycine [7685-44-1], and 4-deoxypyridoxine-HCl (DOP) [148-51-6] tended to potentiate 3-MP more than PTZ. The effects of allylglycine on bicuculline and picrotoxin were intermediate. DOP potentiated bicuculline and picrotoxin only to the extent that it potentiated PTZ. TCH resembled DOP in its effect on bicuculline. Valproic acid [99-66-1] decreased the potency of each convulsant; it was most effective against PTZ, slightly less so against 3-MP, and still less effective against bicuculline and picrotoxin. Its anticonvulsive action probably is not primarily via the GABA system. Phenelzine [51-71-8] slightly decreased the potency of bicuculline, but potentiated 3-MP and picrotoxin and did not affect the potency of PTZ. Diacetyl monoxime [57-71-6] was anticonvulsive against PTZ, bicuculline, and picrotoxin, but not against 3-MP. The results do not support the view that bicuculline and picrotoxin induce seizures by blocking GABA-mediated inhibition.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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: 148-51-6, is researched, Molecular C8H12ClNO2, about Preparation and Investigation of Vitamin B6-Derived Aminopyridinol Antioxidants, the main research direction is aminopyridinol preparation antioxidant.Formula: C8H12ClNO2.

3-Pyridinols bearing amine substitution para to the hydroxylic moiety have previously been shown to inhibit lipid peroxidation more effectively than typical phenolic antioxidants, for example, α-tocopherol. We report here high-yielding, large-scale syntheses of mono- and bicyclic aminopyridinols from pyridoxine hydrochloride (i.e., vitamin B6). This approach provides straightforward, scaleable access to novel, potent, mol. scaffolds whose antioxidant properties have been investigated in homogeneous solutions and in liposomal vesicles. These mol. aggregates mimic cell membranes that are the targets of oxidative damage in vivo.

Here is just a brief introduction to this compound(148-51-6)Formula: C8H12ClNO2, more information about the compound(5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is in the article, you can click the link below.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(SMILESS: OC1=C(C)C(CO)=CN=C1C.[H]Cl,cas:148-51-6) is researched.Electric Literature of C5H6O2. The article 《Vitamin B6 antagonists alter the function and ultrastructure of mice endothelial cells》 in relation to this compound, is published in Journal of Nutritional Science and Vitaminology. Let’s take a look at the latest research on this compound (cas:148-51-6).

Vitamin B6 is necessary for normal cell membrane function and stability. We studied both the function and ultrastructure of aortic and arterial endothelial cells (EC) in vitamin B6 deficiency induced by vitamin B6 antagonists 4-deoxypyridoxine HCl (dPN·HCl) and isonicotinylhydrazide (INH) given in drinking water to 1-mo-old ICR mice. The mice were fed normal laboratory chow and divided into 3 groups. Mice in group I were given distilled water (control), group II was given 0.1 mg dPN·HCl/mL water, and group III 0.4 mg INH/mL water. After 5 mo the blood plasma concentrations of B6 vitamers pyridoxal-5′-phosphate (PLP) and pyridoxal (PL) were analyzed by HPLC. With arachidonic acid (AA) as a precursor, the PGI2 production by EC was assayed by thin-layer chromatog. (TLC) as an indicator of endothelial function. Aorta and arterioles from the foot pad were removed, stained with osmium tetraoxide, and examined by transmission electron microscopy to evaluate the EC ultrastructure. The blood plasma concentrations of PLP, PL, and total B6 were lowest for mice fed INH, followed by dPN·HCl and control. The PGI2 production was paralleled by the plasma vitamin B6 status, with the lowest levels in the INH group, followed by the dPN·HCl group. Abnormalities in the EC ultrastructure were found in both dPN·HCl and INH groups, including cells detached from underlying elastic tissue, with prominent pinocytotic vesicles and swelling and/or indistinct cristae of mitochondria. Thus, vitamin B6 antagonists can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease.

Here is just a brief introduction to this compound(148-51-6)Category: pyrimidines, more information about the compound(5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is in the article, you can click the link below.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Electric Literature of C5H6O2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Biosynthesis of Pseudomonas-Derived Butenolides. Author is Klapper, Martin; Schlabach, Kevin; Paschold, Andre; Zhang, Shuaibing; Chowdhury, Somak; Menzel, Klaus-Dieter; Rosenbaum, Miriam A.; Stallforth, Pierre.

Butenolides are well-known signaling mols. in Gram-pos. bacteria. Here, we describe a novel class of butenolides isolated from a Gram-neg. Pseudomonas strain, the styrolides. Structure elucidation was aided by the total synthesis of styrolide A. Transposon mutagenesis enabled us to identify the styrolide biosynthetic gene cluster, and by using a homol. search, we discovered the related and previously unknown acaterin biosynthetic gene cluster in another Pseudomonas species. Mutagenesis, heterologous expression, and identification of key shunt and intermediate products were crucial to propose a biosynthetic pathway for both Pseudomonas-derived butenolides. The Whole Genome Shotgun project for P. fluorescens HKI0874 has been deposited at DDBJ/ENA/GenBank under the accession VCNJ00000000.

Here is just a brief introduction to this compound(591-12-8)Electric Literature of C5H6O2, more information about the compound(5-Methylfuran-2(3H)-one) is in the article, you can click the link below.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(SMILESS: OC1=C(C)C(CO)=CN=C1C.[H]Cl,cas:148-51-6) is researched.Name: 2-Bromo-3-methoxypropanoic acid. The article 《Untargeted Metabolomics Identifies Enterobiome Metabolites and Putative Uremic Toxins as Substrates of Organic Anion Transporter 1 (Oat1)》 in relation to this compound, is published in Journal of Proteome Research. Let’s take a look at the latest research on this compound (cas:148-51-6).

Untargeted metabolomics on the plasma and urine from wild-type and organic anion transporter-1 (Oat1/Slc22a6) knockout mice identified a number of physiol. important metabolites, including several not previously linked to Oat1-mediated transport. Several, such as indoxyl sulfate, derive from Phase II metabolism of enteric gut precursors and accumulate in chronic kidney disease (CKD). Other compounds included vitamins (pantothenic acid, 4-pyridoxic acid), urate, and metabolites in the tryptophan and nucleoside pathways. Three metabolites, indoxyl sulfate, kynurenine, and xanthurenic acid, were elevated in the plasma and interacted strongly and directly with Oat1 in vitro with IC50 of 18, 12, and 50 μM, resp. A pharmacophore model based on several identified Oat1 substrates was used to screen the NCI database and candidate compounds interacting with Oat1 were validated in an in vitro assay. Together, the data suggest a complex, previously unidentified remote communication between the gut microbiome, Phase II metabolism in the liver, and elimination via Oats of the kidney, as well as indicating the importance of Oat1 in the handling of endogenous toxins associated with renal failure and uremia. The possibility that some of the compounds identified may be part of a larger remote sensing and signaling pathway is also discussed.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Nippon Kagaku Kaishi (1921-47) called Synthesis of hydroxyamino acids and N-methyl derivatives. III. Synthesis of DL-serine and N-methylserine, Author is Izumiya, Nobuo, which mentions a compound: 65090-78-0, SMILESS is O=C(O)C(Br)COC, Molecular C4H7BrO3, Name: 2-Bromo-3-methoxypropanoic acid.

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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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Economic Entomology called Compounds affecting fertility in adult houseflies, Author is LaBrecque, G. C.; Gouck, H. K., which mentions a compound: 148-51-6, SMILESS is OC1=C(C)C(CO)=CN=C1C.[H]Cl, Molecular C8H12ClNO2, HPLC of Formula: 148-51-6.

Of 1100 compounds that were tested, 20 caused sterility in adult Musca domestica when given in the food. P,P-Bis(1-aziridinyl)-N-(p-methoxyphenyl)phosphinic amide, 5-fluoroorotic acid, and 1,4-piperazinediylbis[bis(1-aziridinyl)phosphinic oxide] induced sterility without apparent toxic effect over the broadest range of concentrations, from 5% to 0.1% or 0.25%.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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: 591-12-8, is researched, Molecular C5H6O2, about One-pot conversion of furfural to gamma-valerolactone in the presence of multifunctional zirconium alizarin red S hybrid, the main research direction is furfural valerolactone zirconium alizarin red S.Reference of 5-Methylfuran-2(3H)-one.

A multifunctional Zr-containing catalyst (FM-Zr-ARS) was successfully synthesized by a modulated hydrothermal synthesis route. Systematic characterization results supported the presence of robust porous inorganic-organic frameworks stabilized by the strong coordination interaction of Zr4+ with oxygen-rich functional groups in Alizarin red S (ARS). Moreover, the -O-Zr-O- network in the FM-Zr-ARS structure formed a rich content of acid-base sites. In addition, the inherent sulfonic groups in ARS made the FM-Zr-ARS hybrids possess Bronsted acid sites. Therefore, under the synergistic catalysis of the multiple functional sites, FM-Zr-ARS showed remarkably high catalytic activity for γ-valerolactone (GVL) production from levulinate esters and furfural. Finally, 72.4% and 97.7% yields of GVL were obtained in the conversion of furfural and Et levulinate, resp., after 8 h of reaction at 433 K. On the basis of the role of different functional sites, a plausible catalytic mechanism was presented for the conversion of biomass-derived furfural to GVL.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia