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MedKoo Cat#: 575300 | Name: Faldaprevir sodium

Description:

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

Faldaprevir sodium is a potent NS3/NS4A protease inhibitor potentially for the treatment of HCV infection. Faldaprevir is known to inhibit P-glycoprotein, CYP3A4, and UDP-glucuronosyltransferase 1A1.

Chemical Structure

Faldaprevir sodium
Faldaprevir sodium
CAS#1215856-44-2 (sodium)

Theoretical Analysis

MedKoo Cat#: 575300

Name: Faldaprevir sodium

CAS#: 1215856-44-2 (sodium)

Chemical Formula: C40H48BrN6NaO9S

Exact Mass: 890.2285

Molecular Weight: 891.81

Elemental Analysis: C, 53.87; H, 5.43; Br, 8.96; N, 9.42; Na, 2.58; O, 16.15; S, 3.59

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 #
1215856-44-2 (sodium) 801283-95-4 (free acid)
Synonym
BI 201335 NA; BI-201335 Na salt; BI-201335 sodium salt; BI-201335Na; Faldaprevir sodium
IUPAC/Chemical Name
sodium (1R,2S)-1-((2S,4R)-4-((8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylate
InChi Key
JYIOGGWFNHGWMN-CWNXUBRBSA-M
InChi Code
InChI=1S/C40H49BrN6O9S.Na/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);/q;+1/p-1/t21-,23-,27+,32-,40-;/m1./s1
SMILES Code
[Na+].COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)[O-])cc(nc2c1Br)c6csc(NC(=O)C(C)C)n6
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 891.81 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.

Recalculate based on batch purity %
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: Meeprasert A, Hannongbua S, Kungwan N, Rungrotmongkol T. Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir. Mol Biosyst. 2016 Oct 12. PubMed PMID: 27731877. 2: Berger KL, Sarrazin C, Nelson DR, Scherer J, Sha N, Marquis M, Côté-Martin A, Vinisko R, Stern JO, Mensa FJ, Kukolj G. Resistance Analyses of HCV NS3/4A Protease and NS5B Polymerase from Clinical Studies of Deleobuvir and Faldaprevir. PLoS One. 2016 Aug 5;11(8):e0160668. doi: 10.1371/journal.pone.0160668. eCollection 2016. PubMed PMID: 27494410; PubMed Central PMCID: PMC4975400. 3: Gonnella NC, Busacca CA, Zhang L, Saha A, Wu JP, Li G, Davis M, Offerdahl T, Jones PJ, Herfurth L, Reddig T, Wagner K, Niemann M, Werthmann U, Grupe J, Roos H, Reckzügel G, Ding A. Structure Elucidation of Poly-Faldaprevir: Polymer Backbone Solved Using Solid-State and Solution Nuclear Magnetic Resonance Spectroscopy. J Pharm Sci. 2016 Jun;105(6):1881-90. doi: 10.1016/j.xphs.2016.03.017. PubMed PMID: 27238486. 4: Nishiguchi S, Urano Y, Suzaki K, Taniguchi A, Scherer J, Berger KL, Quinson AM, Stern JO, Omata M. Safety and efficacy of faldaprevir in combination with pegylated interferon α-2b and ribavirin in Japanese patients with genotype-1 chronic hepatitis C virus infection. Hepatol Res. 2016 May 6. doi: 10.1111/hepr.12741. [Epub ahead of print] PubMed PMID: 27153246. 5: Zeuzem S, Mantry P, Soriano V, Buynak RJ, Dufour JF, Pockros PJ, Wright D, Angus P, Buti M, Stern JO, Kadus W, Vinisko R, Böcher W, Mensa FJ. Short article: Faldaprevir, deleobuvir and ribavirin in IL28B non-CC patients with HCV genotype-1a infection included in the SOUND-C3 phase 2b study. Eur J Gastroenterol Hepatol. 2016 Aug;28(8):923-6. doi: 10.1097/MEG.0000000000000649. PubMed PMID: 27140229.