Category: 6313-54-8

McConnell, Nicholas published the artcileSynthesis of Constrained Heterocycles Employing Two Post-Ugi Cyclization Methods for Rapid Library Generation with In Cellulo Activity, Quality Control of 6313-54-8, the publication is ChemistrySelect (2017), 2(35), 11821-11825, database is CAplus and MEDLINE.

An efficient method was developed for the synthesis of benzimidazole dual-heterocycles, e.g., I and quinoxalinone dual-heterocycles, e.g., II utilizing robust post-Ugi cyclization starting from carboxylic acids, isocyanides, benzaldehydes and N-Boc-1,2-phenylenediamine including Ugi-deprotection-cyclization methodol. Through mol. modeling it was shown that the developed compounds I and II were capable of binding to MDMX by exploiting a deep non-polar groove and a deep hydrophobic pocket on the protein. Addnl., the synthesized compounds I and II showed micromolar activity against pancreatic cancer cell line, supporting the therapeutic utility of these compounds

ChemistrySelect published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Quality Control of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Matralis, Alexios N. published the artcileMolecular tools that block maturation of the nuclear lamin A and decelerate cancer cell migration, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry (2018), 26(20), 5547-5554, database is CAplus and MEDLINE.

Lamin A contributes to the structure of nuclei in all mammalian cells and plays an important role in cell division and migration. Mature lamin A is derived from a farnesylated precursor protein, known as prelamin A, which undergoes posttranslational cleavage catalyzed by the zinc metalloprotease STE24 (ZPMSTE24). Accumulation of farnesylated prelamin A in the nuclear envelope compromises cell division, impairs mitosis and induces an increased expression of inflammatory gene products. ZMPSTE24 has been proposed as a potential therapeutic target in oncol. A library of peptidomimetic compounds were synthesized and screened for their ability to induce accumulation of prelamin A in cancer cells and block cell migration in pancreatic ductal adenocarcinoma cells. The results of this study suggest that inhibitors of lamin A maturation may interfere with cell migration, the biol. process required for cancer metastasis.

Bioorganic & Medicinal Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Che, Chao published the artcileStudies on Pyridine Derivatives. IX. Synthesis and Herbicidal Activities of N-(1-carbomethoxy)-ethyl-N-[5-(2-chloropyrid-4-yl)-1,3,4-thiodiazol-2-yl] Amides, COA of Formula: C6H4ClNO2, the publication is Nongyaoxue Xuebao (2004), 6(3), 15-20, database is CAplus.

In order to investigate the structure-activity relationship and improve the activity of herbicidal lead compound 2-sec-butylamino-5-(2-chloropyrid-4-yl)-1,3,4-thiodiazole (BCPT), which was found in previous work on pyridine derivatives, a novel series of N-(1-carbomethoxy) ethyl-N-[5-(2-chloropyrid-4-yl)-1,3,4-thiodiazol-2-yl] amides were synthesized and subjected to post-emergence herbicidal tests. All the compounds showed much weaker herbicidal activity than BCPT itself. The results suggested that BCPT might act to herbs in different way to amide herbicides.

Nongyaoxue Xuebao published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, COA of Formula: C6H4ClNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Gao, Donghong Amy published the artcileSAR studies of non-zinc-chelating MMP-13 inhibitors: Improving selectivity and metabolic stability, Quality Control of 6313-54-8, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(17), 5039-5043, database is CAplus and MEDLINE.

SAR studies to improve the selectivity and metabolic stability of a class of recently discovered MMP-13 inhibitors are reported. Improved selectivity was achieved by modifying interactions with the S1′ pocket. Metabolic stability was improved through reduction of inhibitor lipophilicity. This translated into lower in vivo clearance for the preferred compound

Bioorganic & Medicinal Chemistry Letters published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Quality Control of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Zhen published the artcileA tautomeric ligand enables directed C-H hydroxylation with molecular oxygen, Computed Properties of 6313-54-8, the publication is Science (Washington, DC, United States) (2021), 372(6549), 1452-1457, database is CAplus and MEDLINE.

Hydroxylation of aryl carbon-hydrogen bonds with transition metal catalysts has proven challenging when oxygen is used as the oxidant. Here, we report a palladium complex bearing a bidentate pyridine/pyridone ligand that efficiently catalyzes this reaction at ring positions adjacent to carboxylic acids. IR, x-ray, and computational anal. support a possible role of ligand tautomerization from mono-anionic (L,X) to neutral (L,L) coordination in the catalytic cycle of aerobic carbon-hydrogen hydroxylation reaction. The conventional site selectivity dictated by heterocycles is overturned by this catalyst, thus allowing late-stage modification of compounds of pharmaceutical interest at previously inaccessible sites.

Science (Washington, DC, United States) published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Computed Properties of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Xu, Yanjun published the artcilePyridine derivatives(X): synthesis and herbicidal activities of 2-sec-butylamino-5-(2-aryloxy-4-pyridinyl)-4-yl)-1,3,4-thiadiazoles, Application of 2-Chloroisonicotinic acid, the publication is Nongyaoxue Xuebao (2007), 9(2), 189-192, database is CAplus.

A method for the synthesis of the title compounds [i.e., N-(1-methylpropyl)-5-[2-(phenoxy)-4-pyridinyl]-1,3,4-thiadiazol-2-amine derivatives] is reported here. 2-(Sec-butylamino)-5-(2-chloro-4-pyridinyl)-1,3,4-thiadiazole (BCPT) is a lead compound for herbicide development. In order to improve its herbicidal activity and study the relationship between chem. structure and bioactivity, an aryl ether moiety was introduced to the sketch. A new series of compounds was synthesized and the structures were confirmed by NMR and elementary anal. A preliminary bioassay showed that all the synthesized compounds showed a poor inhibition rate (0-45%) at 500 mg/L, much weaker than (BCPT) (72%-87%). A chloro-atom on the 2-position of pyridine ring may be indispensable for herbicidal activity.

Nongyaoxue Xuebao published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H8O4, Application of 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Xiuyun published the artcileSynthesis and fungicidal activities of biaryl methanone o-benzyl oximes, Product Details of C6H4ClNO2, the publication is Gaodeng Xuexiao Huaxue Xuebao (2015), 36(12), 2415-2420, database is CAplus.

To discover new strobilurin analogs with high pesticidal activity, 11 novel methoxy acrylates bearing biaryl methanone oxime ether moieties were synthesized from aroyl pyridines, and characterized by ¹H and ¹³C NMR and HRMS. In vitro fungicidal evaluation indicated that all of the target compounds exhibited excellent activities against tested seven phytopathogenic fungi, and compounds I (R = H, R₁ = 3-Cl-4-Me) and I (R = H, R₁ = 2,3-Cl)displayed comparable overall activities to azoxystrobin and trifloxystrobin. Some of the target compounds also exhibited excellent in vivo control effects at 400 mg/L, for example, compound I (R = H, R₁ = 4-t-Bu) could 100% control wheat powdery mildew and cucumber anthracnose. Furthermore, at 25 mg/L, these compounds, including control agents, completely inhibited spores germination of rice blast, but no effect at all for cucumber gray mold. These results suggested that this class of compounds might deserve to be developed as new potential agricultural fungicides.

Gaodeng Xuexiao Huaxue Xuebao published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Product Details of C6H4ClNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Mei, Lei published the artcileHalogen Bonded Three-Dimensional Uranyl-Organic Compounds with Unprecedented Halogen-Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution, Name: 2-Chloroisonicotinic acid, the publication is Crystal Growth & Design (2015), 15(3), 1395-1406, database is CAplus.

Actinide-based metal-organic materials have drawn much attention due to their intriguing 5f bonding properties and promising applications in nuclear fuels and other fields. Introduction of weak interactions, such as halogen bonds, into actinide-organic hybrid materials will provide them with more flexibility and dynamics. The first case of halogen bonded three-dimensional (3D) uranyl-organic supramol. frameworks with regular nanoscale channels has been obtained from multifunctional halogen-substituted isonicotinic acids. Distinct from conventional halogen bonded uranyl-organic frameworks, the supramol. networks obtained here consist of three-component cocrystals and have been assemblied by intensive supramol. networks to obtain an extended 3D geometry. Moreover, secondary “X₃” and “X₆” halogen-halogen interactions resulting from the driving forces of primary hydrogen bonds have been found and analyzed by quantum chem. calculation, indicating their feature of weak bonding and special geometry. It is notable that this unprecedented type of “X₆” synthon, especially for “Br₆“, represents a new pattern of halogen-halogen interaction. When halogen substitution of the organic precursor is changed, another type of halogen bonded and hydrogen bonded 3D uranyl-organic framework with two-dimensional layered networks and crosslinking agents formed in situ was acquired. Finally, reversible transformation of 3D uranyl-organic supramol. frameworks is available through loss and regain of water involving in hydrogen bonding networks and thus affords them structural dynamics.

Crystal Growth & Design published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Name: 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Qianli published the artcileSyntheses and characterization of organostannoxanes derived from 2-chloroisonicotinic acid: Tetranuclear and hexanuclear, HPLC of Formula: 6313-54-8, the publication is Polyhedron (2015), 361-368, database is CAplus.

Three types of ladder-like organostannoxanes, [(Me₂Sn)₂(μ₃-O)L₂]₂ (1), [(n-Bu₂Sn)₂(μ₃-O)(μ-OH)L]₂ (2), [(Ph₂Sn)₂(μ₃-O)(μ-OH)L]₂ (3), [(Bz₂Sn)₂(μ₃-O)(μ-OH)L]₂ (4) and [(Me₂Sn)₂(μ₃-O)(μ-OSnMe₃)L]₂ (5) (LH = 2-chloroisonicotinic acid), have been synthesized by the treatment of 2-chloroisonicotinic acid and the corresponding diorganotin(IV) dichloride or trimethyltin(IV) chloride with sodium ethoxide in methanol. All of the complexes have been fully characterized by elemental anal. and FT-IR, NMR (¹H, ¹³C, and ¹¹⁹Sn) spectroscopy, and particularly for 1, 2, 4 and 5, by x-ray crystallog. The structural analyses of 1, 2 and 4 reveal them to be tetranuclear, possessing two different ladder-like structures. Complexes 5 is also a ladder-like structure, but the essential difference from 1 to 4 is that complex 5 is a hexanuclear complex containing mixed tri- and dimethyltin units, where the central tetranuclear Sn₄O₄ motif is bridged by two μ-OSn(Me)₃ groups. A series of O-H···O, O-H···N and C-H···Cl intermol. hydrogen bonds in these complexes play an important function in the supramol. aggregation, and 2D network structures are formed by these interactions.

Polyhedron published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, HPLC of Formula: 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Tanaka, Yuta published the artcileDiscovery of Brain-Penetrant Glucosylceramide Synthase Inhibitors with a Novel Pharmacophore, Formula: C6H4ClNO2, the publication is Journal of Medicinal Chemistry (2022), 65(5), 4270-4290, database is CAplus and MEDLINE.

Inhibition of glucosylceramide synthase (GCS) is a major therapeutic strategy for Gaucher’s disease and has been suggested as a potential target for treating Parkinson’s disease. Herein, authors report the discovery of novel brain-penetrant GCS inhibitors. Assessment of the structure-activity relationship revealed a unique pharmacophore in this series. The lipophilic ortho-substituent of aromatic ring A and the appropriate directionality of aromatic ring B were key for potency. Optimization of the absorption, distribution, metabolism, elimination, toxicity (ADMETox) profile resulted in the discovery of T-036, a potent GCS inhibitor in vivo. Pharmacophore-based scaffold hopping was performed to mitigate safety concerns associated with I. The ring opening of I resulted in another potent GCS inhibitor with a lower toxicol. risk, II, which reduced glucosylceramide in a dose-dependent manner in the plasma and cortex of mice. Finally, authors discuss the structural aspects of the compounds that impart a unique inhibition mode and lower the cardiovascular risk.

Journal of Medicinal Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C19H14Cl2, Formula: C6H4ClNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics