VCP171 , CAS No.1018830-99-3

CAS: 1018830-99-3 Cat. No.: V1430270 Molecular Weight: 347.4 PubChem CID: 24873485

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

VCP171 is a potent adenosine A1 receptor (A1R) positive allosteric modulator (PAM). VCP171 is effective at decreasing excitatory synaptic currents in Lamina II of neuropathic pain model. VCP171 can be used for researching neuropathic pain.

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.

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=C(SC=C2C3=CC(=CC=C3)C(F)(F)F)N
• IUPAC Name: [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
• InChIKey: HNHLVOBHWXLIGP-UHFFFAOYSA-N
• INCHI: 1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=C(SC=C2C3=CC(=CC=C3)C(F)(F)F)N
• PubChem CID: 24873485
• Molecular Weight: 347.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: 2-amino-3-benzoylthiophenes Trifluoromethylbenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - Trifluoromethylbenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and 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