VA-K-14 hydrochloride - ≥98% , CAS No.1171341-19-7

CAS: 1171341-19-7 Cat. No.: V648128 Molecular Weight: 341.86 EC Number: 196-657-7 PubChem CID: 17479126

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

VA-K-14 hydrochloride is a specific thyroid-stimulating hormone receptor (TSHR) antagonist ( IC 50 = 12.3 μM).

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

VA-K-14 hydrochloride is a specific thyroid-stimulating hormone receptor (TSHR) antagonist ( IC 50 = 12.3 μM).

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNC1=NC(=CS1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4.Cl
• IUPAC Name: N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrochloride
• InChIKey: MMEANJJDNROSBC-UHFFFAOYSA-N
• INCHI: 1S/C18H15N3S.ClH/c1-19-18-21-15(11-22-18)16-13-9-5-6-10-14(13)20-17(16)12-7-3-2-4-8-12;/h2-11,20H,1H3,(H,19,21);1H
• Isomeric SMILES: CNC1=NC(=CS1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4.Cl
• PubChem CID: 17479126
• Molecular Weight: 341.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles 2,4-disubstituted thiazoles Benzene and substituted derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Pyrrole - Azole - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with 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

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (146.26 mM; Need ultrasonic)