Furaprevir , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.1435923-88-8, Hepatitis C virus serine protease, NS3/NS4A inhibitor

CAS: 1435923-88-8 Cat. No.: F671213 Molecular Weight: 897

Synonyms

Furaprevir | Q27237271 | UNII-0UMM44REU9 | CHEMBL4297647 | TG-2349 | SCHEMBL6857175 | TG 2349 | DB12785 | Furaprevir [INN] | Cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]ben

Storage

Room temperature

Specifications

Synonyms

Furaprevir | Q27237271 | UNII-0UMM44REU9 | CHEMBL4297647 | TG-2349 | SCHEMBL6857175 | TG 2349 | DB12785 | Furaprevir [INN] | Cyclopentyl N-[(1S, 4R, 6S, 7Z, 14S, 18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2, 15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]ben

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Hepatitis C virus serine protease, NS3/NS4A inhibitor

Product Properties

• ALogP: 7.3

Names and Identifiers

• Canonical Smiles: CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8(CC8)C)OC9=CC=CC=C93
• IUPAC Name: cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• InChIKey: GZRNOYTVBWWFLJ-NTPALUMKSA-N
• INCHI: 1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,3
• Isomeric SMILES: CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8(CC8)C)OC9=CC=CC=C93
• Molecular Weight: 897
• Reaxy-Rn: 21329159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21329159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Cyclic peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Cyclic peptides
• Alternative Parents: Macrolactams Alpha amino acid amides Benzofurans Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Cyclopropanecarboxylic acids and derivatives Organosulfonic acids and derivatives Tertiary carboxylic acid amides Aminosulfonyl compounds Carbamate esters Pyrrolidines Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzofuran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Pyrimidine - Heteroaromatic compound - Furan - Aminosulfonyl compound - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Oxacycle - Ether - Azacycle - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
• 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