1,1'-(2S,2'S)-2,2'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis[1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))diethanone

CAS: 1447744-93-5

Ref. TR-B535265

Product Information

• Name: 1,1'-(2S,2'S)-2,2'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis[1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))diethanone
• Synonyms: 1,1'-[[1,1'-Biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl]]bis[ethanone]
• CAS: 1447744-93-5

Description

Applications 1,1'-(2S,2'S)-2,2'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis[1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))diethanone is derived from 5,5'-[1,1'-Biphenyl]-4,4'-diylbis[2-(2S)-2-pyrrolidinyl-1H-imidazole] Hydrochloride (B397775), which is the derivative of Daclatasvir (D101500) that inhibits the HCV protein NS5A, and thus can be used a drug candidate for the treatment of hepatitis C (HCV).
References Huang, C., et al.: Faming Zhuanli Shenqing, CN 105153128 A 20151216 (2015)

• Brand: TRC

Chemical properties

• Molecular weight: 508.614
• Formula: C₃₀H₃₂N₆O₂
• InChI: InChI=1S/C30H32N6O2/c1-19(37)35-15-3-5-27(35)29-31-17-25(33-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26-18-32-30(34-26)28-6-4-16-36(28)20(2)38/h7-14,17-18,27-28H,3-6,15-16H2,1-2H3,(H,31,33)(H,32,34)/t27-,28-/m0/s1
• InChI key: InChIKey=WFHGBYUOBHZJEC-NSOVKSMOSA-N
• SMILES: CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(C)=O)[nH]4)cc3)cc2)[nH]1