FK614 - ≥99% , Peroxisome proliferator-activated receptor gamma modulator, CAS No.193012-35-0, Peroxisome proliferator-activated receptor gamma modulator

CAS: 193012-35-0 Cat. No.: F651223 分子式: C₂₁H₂₃Cl₂N₃O₃S 分子量: 468.40 PubChem CID: 9869229

GRADE & PURITY ≥99%

Synonyms

UNII-V5Q32BZX79 | FK614 | FK-614 | ATx08-001 | 1-(2,4-dichlorobenzyl)-2-methyl-N-(pentylsulfonyl)-1H-benzo[d]imidazole-6-carboxamide | FK 614 | 1H-Benzimidazole-6-carboxamide,1-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(pentylsulfonyl)- | V5Q32BZX79 | ATx-0

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

FK614 is non-thiazolidinedione (TZD) type, and selective PPARγ modulator (SPPARM). FK614 functions as a PPARγ agonist with potent anti-diabetic activity in vivo. FK614 has different effects on the activation of PPARγ at each stage of adipocyte differentiation. FK614 can be used for the research of hyperglycemia, hypertriglyceridemia, glucose intolerance and type 2 diabetes .

Specifications

同義語

UNII-V5Q32BZX79 | FK614 | FK-614 | ATx08-001 | 1-(2,4-dichlorobenzyl)-2-methyl-N-(pentylsulfonyl)-1H-benzo[d]imidazole-6-carboxamide | FK 614 | 1H-Benzimidazole-6-carboxamide,1-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(pentylsulfonyl)- | V5Q32BZX79 | ATx-0

仕様と純度

≥99%

生化学的・生理学的メカニズム

FK614 is an orally active, non-thiazolidinedione (TZD) type, and selective PPARγ modulator (SPPARM). FK614 functions as a PPARγ agonist with potent anti-diabetic activity in vivo. FK614 has different effects on the activation of PPARγ at each stage of adi

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

MODULATOR

作用メカニズム

Peroxisome proliferator-activated receptor gamma modulator

純度

≥99%

製品の性質

ALogP

5.3

名前と識別子

パブケム・シド

528764466

カノニカル・スマイル

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C

IUPAC Name

3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide

InChIKey

UYGZODVVDUIDDQ-UHFFFAOYSA-N

INCHI

1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)

異性体SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C

代替CAS番号

193012-35-0

PubChem CID

9869229

MeSH用語

3-(2,4-dichlorobenzyl)-2-methyl-N-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide;FK614 cpd

分子量

468.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Dichlorobenzenes N-substituted imidazoles Aryl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Azole - Imidazole - Azacycle - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (213.49 mM; Need ultrasonic)
• 分子量: 468.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 467.084 Da
• Monoisotopic Mass: 467.084 Da
• Topological Polar Surface Area: 89.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 687.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1