ChemSpider 2D Image | Ledipasvir diacetone | C55H66F2N8O8

Ledipasvir diacetone

  • Molecular FormulaC55H66F2N8O8
  • Average mass1005.158 Da
  • Monoisotopic mass1004.497192 Da
  • ChemSpider ID35308278

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2S)-1-{(1R,3S,4S)-3-[6-(9,9-Difluoro-7-{2-[(6S)-5-{(2S)-2-[(méthoxycarbonyl)amino]-3-méthylbutanoyl}-5-azaspiro[2.4]hept-6-yl]-1H-imidazol-5-yl}-9H-fluorén-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2 .2.1]hept-2-yl}-3-méthyl-1-oxo-2-butanyl]carbamate de méthyle - acétone (1:2) [French] [ACD/IUPAC Name]
1502655-48-2 [RN]
Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imid azol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, compd. with 2-propanone (1:2) [ACD/Index Name]
Ledipasvir diacetone
Methyl [(2S)-1-{(1R,3S,4S)-3-[6-(9,9-difluoro-7-{2-[(6S)-5-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-azaspiro[2.4]hept-6-yl]-1H-imidazol-5-yl}-9H-fluoren-2-yl)-1H-benzimidazol-2-yl]-2-azabi cyclo[2.2.1]hept-2-yl}-3-methyl-1-oxo-2-butanyl]carbamate - acetone (1:2) [ACD/IUPAC Name]
Methyl-[(2S)-1-{(1R,3S,4S)-3-[6-(9,9-difluor-7-{2-[(6S)-5-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-azaspiro[2.4]hept-6-yl]-1H-imidazol-5-yl}-9H-fluoren-2-yl)-1H-benzimidazol-2-yl]-2-azabic yclo[2.2.1]hept-2-yl}-3-methyl-1-oxo-2-butanyl]carbamat -aceton (1:2) [German] [ACD/IUPAC Name]
BIS(ACETONE); LEDIPASVIR
GS-5885 diacetone
Ledipasvir (diacetone)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Z6GY125S9S [DBID]
UNII:Z6GY125S9S [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anti-infection MedChem Express HY-15602D
      Anti-infection; MedChem Express HY-15602D
      HCV MedChem Express HY-15602D
      Ledipasvir(GS5885) diacetone is an inhibitor of the hepatitis C virus NS5A protein; Ledipasvir is an experimental drug for the treatment of hepatitis C. MedChem Express
      Ledipasvir(GS5885) diacetone is an inhibitor of the hepatitis C virus NS5A protein; Ledipasvir is an experimental drug for the treatment of hepatitis C.; IC50 Value: 141 nM (EC50, JFH1/3a-NS5A hybrid replicon) [1]; Target: HCV NS5A ; in vitro: Against JFH1/3a-NS5A, DCV was more potent (EC(50) = 0.52 nM) than GS-5885 (EC(50) = 141 nM). MedChem Express HY-15602D
      Ledipasvir(GS5885) diacetone is an inhibitor of the hepatitis C virus NS5A protein; Ledipasvir is an experimental drug for the treatment of hepatitis C.;IC50 Value: 141 nM (EC50, JFH1/3a-NS5A hybrid replicon) [1];Target: HCV NS5A ;In vitro: Against JFH1/3a-NS5A, DCV was more potent (EC(50) = 0.52 nM) than GS-5885 (EC(50) = 141 nM). DCV sensitivity was increased against JFH1/3a-NS5A-M28V (EC50 = 0.006 nM), A30V (EC(50) = 0.012 nM), and E92A (EC(50) = 0.004 nM) while the NS5A-A30K and -Y93H variants exhibited reduced sensitivity to DCV (EC50 values of 23 nM and 1120 nM, respectively) and to GS-5885 (EC50 values of 1770 nM and 4300 nM, respectively) [1].;In vivo: GS-5885 was well tolerated and resulted in median maximal reductions in HCV RNA ranging from 2.3 log(10) IU/ml (1 mg QD) to 3.3 log(10) IU/ml (10 mg QD in genotype 1b and 30 mg QD). E(max) modeling indicated GS-5885 30 mg was associated with>95% of maximal antiviral response to HCV genotype 1a. HCV RNA reductions were gener MedChem Express HY-15602D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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