Danoprevir
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MedKoo CAT#: 315123

CAS#: 850876-88-9 (free base)

Description: Danoprevir, also known as ITMN-191 and RG-7227, is under development by InterMune Inc and Roche Holding AG, is a promising, potent NS3/4A protease inhibitor for the oral treatment of HCV infection. Preclinical data demonstrated that danoprevir binds with high affinity and dissociates slowly from the HCV NS3 protease, allowing high liver drug exposure with only modest plasma drug exposure. A phase Ib, 'IFN-free' clinical trial demonstrated that danoprevir, combined with the HCV polymerase inhibitor RG-7128 (Pharmasset Inc/Roche Holding AG), was effective in reducing HCV-RNA levels in a large proportion of treatment-naïve patients with HCV infection and in approximately half of previously non-responsive patients with HCV-1 infection, without resistance or safety concerns.


Chemical Structure

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Danoprevir
CAS# 850876-88-9 (free base)

Theoretical Analysis

MedKoo Cat#: 315123
Name: Danoprevir
CAS#: 850876-88-9 (free base)
Chemical Formula: C35H46FN5O9S
Exact Mass: 731.30003
Molecular Weight: 731.83
Elemental Analysis: C, 57.44; H, 6.34; F, 2.60; N, 9.57; O, 19.68; S, 4.38

Size Price Shipping out time Quantity
500mg USD 3450 2 Weeks
1g USD 4650 2 Weeks
2g USD 5950 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-03-08. Prices are subject to change without notice.

Danoprevir, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received. Delivery time: overnight (USA/Canada); 3-5 days (worldwide). Shipping fee: from $30.00 (USA); from $45.00 (Canada); from $70.00 (international).

Synonym: RG7227; RG 7227; RG-7227; ITMN191; ITMN-191; ITMN 191; RO5190591; RO-5190591; RO 5190591.

IUPAC/Chemical Name: (2R,13aS,14aR,16aS,Z)-6-((tert-butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate

InChi Key: ZVTDLPBHTSMEJZ-QIFYYAQYSA-N

InChi Code: InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27?,28+,35-/m1/s1

SMILES Code: O=C(N1CC2=C(C(F)=CC=C2)C1)O[C@@H](C3)C[C@](C(N[C@@](C4)(C(NS(=O)(C5CC5)=O)=O)[C@]4([H])/C=C\CCCCCC6NC(OC(C)(C)C)=O)=O)([H])N3C6=O

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO.

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Handling Instructions:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO. 100.0

Preparing Stock Solutions

The following data is based on the product molecular weight 731.83 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Forestier N, Larrey D, Guyader D, Marcellin P, Rouzier R, Patat A, Smith P, Bradford W, Porter S, Blatt L, Seiwert SD, Zeuzem S. 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. J Hepatol. 2010 Dec 8. [Epub ahead of print] PubMed PMID: 21145848.

2: Gane EJ, Roberts SK, Stedman CA, Angus PW, Ritchie B, Elston R, Ipe D, Morcos PN, Baher L, Najera I, Chu T, Lopatin U, Berrey MM, Bradford W, Laughlin M, Shulman NS, Smith PF. 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. Lancet. 2010 Oct 30;376(9751):1467-75. Epub 2010 Oct 14. PubMed PMID: 20951424.

3: Thomas DL. Curing hepatitis C with pills: a step toward global control. Lancet. 2010 Oct 30;376(9751):1441-2. Epub 2010 Oct 14. PubMed PMID: 20951421.

4: Moucari R, Forestier N, Larrey D, Guyader D, Couzigou P, Benhamou Y, Voitot H, Vidaud M, Seiwert S, Bradford B, Zeuzem S, Marcellin P. Danoprevir, an HCV NS3/4A protease inhibitor, improves insulin sensitivity in patients with genotype 1 chronic hepatitis C. Gut. 2010 Dec;59(12):1694-8. Epub 2010 Sep 21. PubMed PMID: 20861007.

5: Deutsch M, Papatheodoridis GV. Danoprevir, a small-molecule NS3/4A protease inhibitor for the potential oral treatment of HCV infection. Curr Opin Investig Drugs. 2010 Aug;11(8):951-63. PubMed PMID: 20721837.