Clofutriben , CAS No.1204178-50-6

CAS: 1204178-50-6 Cat. No.: C1439914 PubChem CID: 44598960

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Clofutriben (ASP3662) is a 11β-hydroxysteroid dehydrogenase type 1 inhibitor.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)C(=O)N)F)OC3=C(C=C(C=C3F)Cl)F
• IUPAC Name: 4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide
• InChIKey: CMQOKZCYVZFZLZ-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClF3N4O2/c1-19(2,29-15-13(22)7-10(20)8-14(15)23)18-26-25-17(27(18)3)11-5-4-9(16(24)28)6-12(11)21/h4-8H,1-3H3,(H2,24,28)
• Isomeric SMILES: CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)C(=O)N)F)OC3=C(C=C(C=C3F)Cl)F
• PubChem CID: 44598960
• MeSH Entry Terms: 4-(5-(2-(4-chloro-2,6-difluorophenoxy)propan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)-3-fluorobenzamide;ASP3662

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Fluorobenzene - Benzenoid - Aryl fluoride - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
• 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