BILB-1941 | CAS#494856-61-0 | NS5B inhibitor

MedKoo Cat#: 526954 | Name: BILB-1941

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BILB-1941 is a HCV NS5B polymerase inhibitor potentially for the treatment of HCV infection. BILB-1941 is the first thumb pocket 1 NS5B inhibitor that demonstrated antiviral activity in patients chronically infected with genotype 1 HCV. BILB 1941 monotherapy demonstrated antiviral activity against HCV genotype 1, but gastrointestinal intolerance precluded testing of higher doses.

Chemical Structure

BILB-1941

CAS#494856-61-0

Theoretical Analysis

MedKoo Cat#: 526954

Name: BILB-1941

CAS#: 494856-61-0

Chemical Formula: C34H34N4O4

Exact Mass: 562.2580

Molecular Weight: 562.67

Elemental Analysis: C, 72.58; H, 6.09; N, 9.96; O, 11.37

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

BILB-1941; BILB 1941; BILB1941; BILB-1941ZW; BILB 1941ZW; BILB1941ZW.

IUPAC/Chemical Name

(E)-3-(4-(1-(3-cyclopentyl-1-methyl-2-(pyridin-2-yl)-1H-indole-6-carboxamido)cyclobutane-1-carboxamido)phenyl)acrylic acid

InChi Key

JBSNALXXNTWUEC-SFQUDFHCSA-N

InChi Code

InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)/b17-12+

SMILES Code

O=C(C1=CC2=C(C=C1)C(C3CCCC3)=C(C4=NC=CC=C4)N2C)NC5(C(NC(C=C6)=CC=C6/C=C/C(O)=O)=O)CCC5

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

More Info

Related CAS# 494856-61-0 (BILB-1941)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 562.67 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.

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

1: Beaulieu PL, Anderson PC, Bethell R, Bös M, Bousquet Y, Brochu C, Cordingley MG, Fazal G, Garneau M, Gillard JR, Kawai S, Marquis M, McKercher G, Poupart MA, Stammers T, Thavonekham B, Wernic D, Duan J, Kukolj G. Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential treatment of chronic hepatitis C virus infection. J Med Chem. 2014 Dec 11;57(23):10130-43. doi: 10.1021/jm501532z. PubMed PMID: 25393851. 2: Beaulieu PL, Bös M, Cordingley MG, Chabot C, Fazal G, Garneau M, Gillard JR, Jolicoeur E, LaPlante S, McKercher G, Poirier M, Poupart MA, Tsantrizos YS, Duan J, Kukolj G. Discovery of the first thumb pocket 1 NS5B polymerase inhibitor (BILB 1941) with demonstrated antiviral activity in patients chronically infected with genotype 1 hepatitis C virus (HCV). J Med Chem. 2012 Sep 13;55(17):7650-66. doi: 10.1021/jm3006788. PubMed PMID: 22849725. 3: Erhardt A, Deterding K, Benhamou Y, Reiser M, Forns X, Pol S, Calleja JL, Ross S, Spangenberg HC, Garcia-Samaniego J, Fuchs M, Enríquez J, Wiegand J, Stern J, Wu K, Kukolj G, Marquis M, Beaulieu P, Nehmiz G, Steffgen J; BILB 1941 Study Group.. Safety, pharmacokinetics and antiviral effect of BILB 1941, a novel hepatitis C virus RNA polymerase inhibitor, after 5 days oral treatment. Antivir Ther. 2009;14(1):23-32. PubMed PMID: 19320234.