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850876-88-9,MFCD16038038
Catalog No.:AA00G3LE

850876-88-9 | Danoprevir

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Purity
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1mg
99%
in stock  
$24.00   $17.00
- +
500mg
98% by HPLC
in stock  
$9,668.00   $6,768.00
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1000mg
98% by HPLC
in stock  
$15,433.00   $10,803.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00G3LE
Chemical Name:
Danoprevir
CAS Number:
850876-88-9
Molecular Formula:
C35H46FN5O9S
Molecular Weight:
731.8312
MDL Number:
MFCD16038038
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCCCC/C=C\[C@@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)OC(=O)N1Cc3c(C1)cccc3F)(C2)C(=O)NS(=O)(=O)C1CC1
Properties
Computed Properties
 
Complexity:
1530  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
8  
XLogP3:
3.3  

Literature

Title: Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease.

Journal: Journal of medicinal chemistry 20140313

Title: Impact of low-dose ritonavir on danoprevir pharmacokinetics: results of computer-based simulations and a clinical drug-drug interaction study.

Journal: Clinical pharmacokinetics 20120701

Title: Discovery of novel P3-oxo inhibitor of hepatitis C virus NS3/4A serine protease.

Journal: Bioorganic & medicinal chemistry letters 20120415

Title: Effect of IL28B genotype on early viral kinetics during interferon-free treatment of patients with chronic hepatitis C.

Journal: Gastroenterology 20120401

Title: Antiviral activity, safety, and pharmacokinetics of danoprevir/ritonavir plus PEG-IFN α-2a/RBV in hepatitis C patients.

Journal: Journal of hepatology 20111101

Title: Differential efficacy of protease inhibitors against HCV genotypes 2a, 3a, 5a, and 6a NS3/4A protease recombinant viruses.

Journal: Gastroenterology 20110901

Title: Second-wave protease inhibitors: choosing an heir.

Journal: Clinics in liver disease 20110801

Title: Treatment of chronic hepatitis C patients with the NS3/4A protease inhibitor danoprevir (ITMN-191/RG7227) leads to robust reductions in viral RNA: a phase 1b multiple ascending dose study.

Journal: Journal of hepatology 20110601

Title: Emerging therapeutic options in hepatitis C virus infection.

Journal: The American journal of managed care 20110301

Title: Susceptibility of treatment-naive hepatitis C virus (HCV) clinical isolates to HCV protease inhibitors.

Journal: Antimicrobial agents and chemotherapy 20101201

Title: Curing hepatitis C with pills: a step toward global control.

Journal: Lancet (London, England) 20101030

Title: Oral combination therapy with a nucleoside polymerase inhibitor (RG7128) and danoprevir for chronic hepatitis C genotype 1 infection (INFORM-1): a randomised, double-blind, placebo-controlled, dose-escalation trial.

Journal: Lancet (London, England) 20101030

Title: Danoprevir, a small-molecule NS3/4A protease inhibitor for the potential oral treatment of HCV infection.

Journal: Current opinion in investigational drugs (London, England : 2000) 20100801

Title: Relative replication capacity and selective advantage profiles of protease inhibitor-resistant hepatitis C virus (HCV) NS3 protease mutants in the HCV genotype 1b replicon system.

Journal: Antimicrobial agents and chemotherapy 20080301

Title: Imhof I, et al. Genotype differences in susceptibility and resistance development of hepatitis C virus to protease inhibitors telaprevir (VX-950) and danoprevir (ITMN-191).Hepatology. 2011 Apr;53(4):1090-9.

Title: Seiwert, Scott D., et al. Preclinical characteristics of the hepatitis C virus NS3/4A protease inhibitor ITMN-191 (R7227). Antimicrobial Agents and Chemotherapy (2008), 52(12), 4432-4441.

Title: Bartels DJ, et al. Natural prevalence of hepatitis C virus variants with decreased sensitivity to NS3.4A protease inhibitors in treatment-naive subjects. J Infect Dis. 2008 Sep 15;198(6):800-7.

Title: Qi Sun, et al. Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. Signal Transduct Target Ther. 2021 May 29;6(1):212.

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