ChemSpider 2D Image | Dasabuvir | C26H27N3O5S

Dasabuvir

  • Molecular FormulaC26H27N3O5S
  • Average mass493.575 Da
  • Monoisotopic mass493.167145 Da
  • ChemSpider ID29776744

More details:

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

1132935-63-7 [RN]
ABT-333
Dasabuvir [INN]
Dasabuvir [French] [INN]
Dasabuvir [Spanish] [INN]
Dasabuvirum [Latin] [INN]
DE54EQW8T1
Methanesulfonamide, N-[6-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]-2-naphthalenyl]- [ACD/Index Name]
N-{6-[3-tert-butyl-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide
N-{6-[5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-methoxy-3-(2-methyl-2-propanyl)phenyl]-2-naphthyl}methanesulfonamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9741 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chr onic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85182, CHEBI:85182

    • Bio Activity:

      ABT-333 is an NS5B non-nucleoside polymerase inhibitor. MedChem Express
      ABT-333 is an NS5B non-nucleoside polymerase inhibitor.; IC50 value: ; Target: HCV NS5B; in vitro: ; in vivo: All patients received ABT-333 (400 mg twice daily) and ribavirin (1000 to 1200 mg per day) and one of two daily doses of ABT-450/r. MedChem Express HY-13998
      ABT-333 is an NS5B non-nucleoside polymerase inhibitor.;IC50 value: ;Target: HCV NS5B;In vitro: ;In vivo: All patients received ABT-333 (400 mg twice daily) and ribavirin (1000 to 1200 mg per day) and one of two daily doses of ABT-450/r. Groups 1 and 2 included previously untreated patients; group 1 received 250 mg of ABT-450 and 100 mg of ritonavir, and group 2 received 150 mg and 100 mg, respectively. Group 3, which included patients who had had a null or partial response to previous therapy with peginterferon and ribavirin, received daily doses of 150 mg of ABT-450 and 100 mg of ritonavir [1]. An interferon-free combination of the protease inhibitor ABT-450 with ritonavir (ABT-450/r), the nonnucleoside polymerase inhibitor ABT-333, and ribavirin showed efficacy against the hepatitis C virus (HCV) in a pilot study involving patients with HCV genotype 1 infection [2]. MedChem Express HY-13998
      Anti-infection MedChem Express HY-13998
      Anti-infection; MedChem Express HY-13998
      HCV MedChem Express HY-13998

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.04
ACD/KOC (pH 5.5): 1684.99
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 208.19
ACD/KOC (pH 7.4): 1551.96
Polar Surface Area: 113 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 374.6±3.0 cm3

Click to predict properties on the Chemicalize site


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