Category: 6313-54-8

Dong, Jinyun published the artcileDiscovery of heterocycle-containing α-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors, COA of Formula: C6H4ClNO2, the publication is European Journal of Medicinal Chemistry (2021), 112895, database is CAplus and MEDLINE.

A set of forty-six 6,7,10-trimethoxy-α-naphthoflavone derivatives I [R = 2-furyl, 2-chloro-4-pyridyl, 5-bromo-2-pyridyl, etc.] was synthesized and screened against CYP1 enzymes, leading to the identification of fluorine-containing compound I [R = 5-bromo-2-pyridyl] as the most potent and selective CYP1B1 inhibitor (IC₅₀ value of 0.07 nM), being 84-fold more potent than that of the template mol. ANF. Alternatively, the amino-substituted derivative I [R = 4-amino-3-pyridyl] not only possessed a potent inhibitory effect on CYP1B1 (IC₅₀ value of 0.98 nM), but also had a substantially increased water solubility as compared with the lead ANF. The current study expanded the structural diversity of CYP1B1 inhibitors and compound I [R = 4-amino-3-pyridyl] could be considered as a promising starting point with great potential for further studies.

European 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 C6H4ClNO2, COA of Formula: C6H4ClNO2.

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

Chou, Chun-Cheng published the artcile4,4′,5,5′-tetracarboxy-2,2′-bipyridine Ru(II) sensitizers for dye-sensitized solar cells, Category: chlorides-buliding-blocks, the publication is Inorganic Chemistry (2014), 53(16), 8593-8599, database is CAplus and MEDLINE.

Two Ru(II) sensitizers TCR-1 and TCR-2 bearing four carboxy anchoring groups were prepared using 4,4′,5,5′-tetraethoxycarbonyl-2,2′-bipyridine chelate and 4-(5-hexylthien-2-yl)-2-(3-trifluoromethyl-1H-pyrazol-5-yl)pyridine and 6-t-butyl-1-(3-trifluoromethyl-1H-pyrazol-5-yl)isoquinoline, resp. Dissolution of these sensitizers in DMF solution afforded a light green solution up to 10^-5 M, for which their color gradually turned red upon further dilution and deposition on the surface of a TiO₂ photoanode due to the spontaneous deprotonation of carboxylic acid groups. These sensitizers were characterized using electrochem. means and structural anal. time-dependent d. functional theory (TDDFT) simulation and were also subjected to actual device fabrication. The as-fabricated DSC devices showed overall efficiencies η = 6.16% and 6.23% vs. their 4,4′-dicarboxy counterparts TFRS-2 and TFRS-52 with higher efficiencies of 7.57% and 8.09%, using electrolyte with 0.2 M LiI additive. Their inferior efficiencies are possibly caused by the combination of blue-shifted absorption on TiO₂, inadequate dye loading, and the perpendicularly oriented central carboxy groups.

Inorganic 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, Category: chlorides-buliding-blocks.

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

Andrews, Simeon S. published the artcileLabel Transfer Reagents to Probe p38 MAPK Binding Partners, Recommanded Product: 2-Chloroisonicotinic acid, the publication is ChemBioChem (2013), 14(2), 209-216, database is CAplus and MEDLINE.

Protein kinases are essential enzymes for cellular signaling, and are often regulated by participation in protein complexes. The mitogen-activated protein kinase (MAPK) p38 is involved in multiple pathways, and its regulation depends on its interactions with other signaling proteins. However, the identification of p38-interacting proteins is challenging. For this reason, we have developed label transfer reagents (LTRs) that allow labeling of p38 signaling complexes. These LTRs leverage the potency and selectivity of known p38 inhibitors to place a photo-crosslinker and tag in the vicinity of p38 and its binding partners. Upon UV irradiation, proteins that are in close proximity to p38 are covalently crosslinked, and labeled proteins are detected and/or purified with an orthogonal chem. handle. Here we demonstrate that p38-selective LTRs selectively label a diversity of p38 binding partners, including substrates, activators, and inactivators. Furthermore, these LTRs can be used in immunoprecipitations to provide low-resolution structural information on p38-containing complexes.

ChemBioChem 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, Recommanded Product: 2-Chloroisonicotinic acid.

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

Jansen, Koen published the artcileExtended Structure-Activity Relationship and Pharmacokinetic Investigation of (4-Quinolinoyl)glycyl-2-cyanopyrrolidine Inhibitors of Fibroblast Activation Protein (FAP), Recommanded Product: 2-Chloroisonicotinic acid, the publication is Journal of Medicinal Chemistry (2014), 57(7), 3053-3074, database is CAplus and MEDLINE.

Fibroblast activation protein (FAP) is a serine protease related to dipeptidyl peptidase IV (DPPIV). It has been convincingly linked to multiple disease states involving remodeling of the extracellular matrix. FAP inhibition is investigated as a therapeutic option for several of these diseases, with most attention so far devoted to oncol. applications. The authors previously discovered the N-4-quinolinoyl-Gly-(2S)-cyanoPro scaffold as a possible entry to highly potent and selective FAP inhibitors. In the present study, the authors explore in detail the structure-activity relationship around this core scaffold. The authors report extensively optimized compounds that display low nanomolar inhibitory potency and high selectivity against the related dipeptidyl peptidases (DPPs) DPPIV, DPP9, DPPII, and prolyl oligopeptidase (PREP). The log D values, plasma stabilities, and microsomal stabilities of selected compounds were found to be highly satisfactory. Pharmacokinetic evaluation in mice of selected inhibitors demonstrated high oral bioavailability, plasma half-life, and the potential to selectively and completely inhibit FAP in vivo.

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 C6H4ClNO2, Recommanded Product: 2-Chloroisonicotinic acid.

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

Gao, Feng-qin published the artcileSynthesis of methyl 2-chloroisonicotinate via esterification reaction catalyzed by hydrogen chloride, Name: 2-Chloroisonicotinic acid, the publication is Huaxue Shijie (2014), 55(1), 26-28, 54, database is CAplus.

Me 2-chloroisonicotinate with purity higher than 98.5% was synthesized via esterification reaction using 2-chloro-isonicotinic acid as starting material and hydrogen chloride as catalyst. The target compound was characterized by ¹H NMR, IR and GC-MS. The exptl. results showed that the optimal reaction conditions were: the concentration of hydrogen chloride 26%, the reaction temperature 40°C and the reaction time 3 h. The reason for the generation of the byproduct Me 2-methoxyl isonicotinate was investigated, and the reaction mechanism was speculated.

Huaxue Shijie 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

Wu, Zhi-bing published the artcileSynthesis and antifungal activity of N-(1,4-substituted-pyrazole-yl)-heterocyclic carboxamide derivatives, Name: 2-Chloroisonicotinic acid, the publication is Nongyao (2013), 52(1), 11-14, 44, database is CAplus.

Pyrazole derivates were a kind of compounds with high and broad-spectrum activity. In order to find heterocyclic carboxamide derivatives with high activity, this kind of compounds were further studied. A series of N-(1,4-disubstituted pyrazole-yl)-heterocyclic carboxamide derivatives were synthesized. All target compounds were bioassayed in vitro against three kinds of phytopathogenic fungi (Gibberella zeae, Fusarium oxysporum, Cytospora mandshurica). The preliminary results indicated that most of the synthesized compounds possessed some antifungal activity against these three tested fungi at 50 mg/L, among which compound 9j displayed 71.0% inhibition activity against G. zeae at 50 mg/L and compound 9l displayed 55.7% inhibition activity against C. mandshurica at 50 mg/L. The mol. structures of the target compounds could be optimized based on the designed compounds

Nongyao 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 C9H6N2O2, Name: 2-Chloroisonicotinic acid.

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

Huang, Boshi published the artcileVerifying the role of 3-hydroxy of 17-cyclopropylmethyl-4,5α-epoxy-3,14β-dihydroxy-6β-[(4′-pyridyl)carboxamido]morphinan derivatives via their binding affinity and selectivity profiles on opioid receptors, Application of 2-Chloroisonicotinic acid, the publication is Bioorganic Chemistry (2021), 104702, database is CAplus and MEDLINE.

In the present study, the role of 3-hydroxy group of a series of epoxymorphinan derivatives I (R¹ = H, OH; R² = Cl, Br, CN, Me, OMe) in their binding affinity and selectivity profiles toward the opioid receptors (ORs) has been investigated. It was found that the 3-hydroxy group was crucial for the binding affinity of these derivatives for all three ORs due to the fact that all the analogs I (R¹ = OH) exhibited significantly higher binding affinities compared to their counterpart 3-dehydroxy ones I (R¹ = H). Meanwhile most compounds carrying the 3-hydroxy group possessed similar selectivity profiles for the kappa opioid receptor over the mu opioid receptor as their corresponding 3-dehydroxy derivatives The [³⁵S]-GTPγS functional assay results indicated that the 3-hydroxy group of these epoxymorphinan derivatives I was important for maintaining their potency on the ORs with various effects. Further mol. modeling studies helped comprehend the remarkably different binding affinity and functional profiles between compound I (R¹ = H, R² = CN)(NCP) and its 3-dehydroxy analog I (R¹ = OH, R² = CN).

Bioorganic 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, Application of 2-Chloroisonicotinic acid.

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

Eaton, John K. published the artcileStructure-activity relationships of GPX4 inhibitor warheads, Category: chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(23), 127538, database is CAplus and MEDLINE.

Direct inhibition of GPX4 requires covalent modification of the active-site selenocysteine. While phenotypic screening has revealed that activated alkyl chlorides and masked nitrile oxides can inhibit GPX4 covalently, a systematic assessment of potential electrophilic warheads with the capacity to inhibit cellular GPX4 has been lacking. Here, we survey more than 25 electrophilic warheads across several distinct GPX4-targeting scaffolds. We find that electrophiles with attenuated reactivity compared to chloroacetamides are unable to inhibit GPX4 despite the expected nucleophilicity of the selenocysteine residue. However, highly reactive propiolamides we uncover in this study can substitute for chloroacetamide and nitroisoxazole warheads in GPX4 inhibitors. Our observations suggest that electrophile masking strategies, including those we describe for propiolamide- and nitrile-oxide-based warheads, may be promising for the development of improved covalent GPX4 inhibitors.

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, Category: chlorides-buliding-blocks.

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

Mistry, Nisha published the artcileCatalytic asymmetric synthesis of geminal-dicarboxylates, Related Products of chlorides-buliding-blocks, the publication is Chemical Science (2018), 9(29), 6307-6312, database is CAplus and MEDLINE.

Stereogenic acetals, spiroacetals and ketals are well-studied stereochem. features that bear two heteroatoms at a common carbon atom. These stereocenters are normally found in cyclic structures while linear (or acyclic) analogs bearing two heteroatoms are rare. Chiral geminal-dicarboxylates are illustrative, there is no current way to access this class of compounds while controlling the stereochem. at the carbon center bound to two oxygen atoms. Here, a rhodium-catalyzed asym. carboxylation of ester-containing allylic bromides to form stereogenic carbon centers bearing two different carboxylates with high yields and enantioselectivities is reported. The products, which are surprisingly stable to a variety of acidic and basic conditions, can be manipulated with no loss of enantiomeric purity as demonstrated by ring closing metathesis reactions to form chiral lactones, which have been extensively used as building blocks in asym. synthesis.

Chemical Science 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

Wang, Jian-Fang published the artcileCocrystal of {Ti₄} and {Ti₆} Clusters with Enhanced Photochemical Properties, Application In Synthesis of 6313-54-8, the publication is Inorganic Chemistry (2017), 56(5), 2367-2370, database is CAplus and MEDLINE.

A supramol. cocrystal {Ti₄ + Ti₆} has been prepared through the combination of isolated {Ti₄} and {Ti₆} clusters. The combined {Ti₄ + Ti₆} complex displayed better solar-driven photocatalytic dye degradation activity than the individual {Ti₄} and {Ti₆} compounds

Inorganic 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 C6H13NO2, Application In Synthesis of 6313-54-8.

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