HCV-IN-31 - ≥99% , CAS No.1998705-62-6

CAS: 1998705-62-6 Cat. No.: H650232 Molecular Weight: 312.30 PubChem CID: 122510185

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC 50 /EC 95 of 15.7 μM for HCV replicon

Form:Solid

IC50& Target:EC50/EC95: 15.7 μM (HCV replicon)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC 50 /EC 95 of 15.7 μM for HCV replicon.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1(C(C(OC1N2C=NC3=C(N=C(N=C32)N)NC)CO)O)F
• IUPAC Name: (2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
• InChIKey: HPINXBYYNVDDEB-GSWPYSDESA-N
• INCHI: 1S/C12H17FN6O3/c1-12(13)7(21)5(3-20)22-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20-21H,3H2,1-2H3,(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1
• PubChem CID: 122510185
• Molecular Weight: 312.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 6-aminopurines
          • Level6 6-alkylaminopurines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: Secondary alkylarylamines Pyrimidines and pyrimidine derivatives N-substituted imidazoles Monosaccharides Imidolactams Tetrahydrofurans Imidazolines Heteroaromatic compounds Secondary alcohols Fluorohydrins Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Formamidines Dialkylamines Carboximidamides Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - N-substituted imidazole - Monosaccharide - Heteroaromatic compound - Tetrahydrofuran - 2-imidazoline - Azole - Secondary alcohol - Halohydrin - Fluorohydrin - Formamidine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Secondary aliphatic amine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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 : 60 mg/mL (192.12 mM; Need ultrasonic)