BMS-824 | CAS#1265322-00-6

MedKoo Cat#: 555451 | Name: BMS-824

Description:

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

BMS-824 is a potent NS5A inhibitor. The 50% inhibition of HCV replicon replication for BMS-824 was approximately 5 nM, with a therapeutic index of >10,000. BMS-824 showed good specificity for HCV, as it was not active against several other RNA and DNA viruses.

Chemical Structure

BMS-824

CAS#1265321-97-8 (free base)

Theoretical Analysis

MedKoo Cat#: 555451

Name: BMS-824

CAS#: 1265321-97-8 (free base)

Chemical Formula: C27H25F3N4O5

Exact Mass: 542.1777

Molecular Weight: 542.52

Elemental Analysis: C, 59.78; H, 4.65; F, 10.51; N, 10.33; O, 14.75

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 #

1265321-98-9 (TFA) 1265321-97-8 (free base) 1265322-00-6 (RR-isomer)

Synonym

BMS-824; BMS 824; BMS824;

IUPAC/Chemical Name

2-((R)-1-((S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid

InChi Key

YBQLZPRLWZZECJ-OXQOHEQNSA-N

InChi Code

InChI=1S/C27H25F3N4O5/c28-27(29,30)22-23(18-6-2-1-3-7-18)32-38-24(22)26-31-25(33-39-26)19-10-8-17(9-11-19)20(35)15-34-12-4-5-16(14-34)13-21(36)37/h1-3,6-11,16,20,35H,4-5,12-15H2,(H,36,37)/t16-,20-/m1/s1

SMILES Code

O[C@H](CN1C[C@@H](CC(O)=O)CCC1)C2=CC=C(C3=NOC(C4=C(C(F)(F)F)C(C5=CC=CC=C5)=NO4)=N3)C=C2

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 542.52 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: Lemm JA, Leet JE, O'Boyle DR 2nd, Romine JL, Huang XS, Schroeder DR, Alberts J, Cantone JL, Sun JH, Nower PT, Martin SW, Serrano-Wu MH, Meanwell NA, Snyder LB, Gao M. Discovery of potent hepatitis C virus NS5A inhibitors with dimeric structures. Antimicrob Agents Chemother. 2011 Aug;55(8):3795-802. doi: 10.1128/AAC.00146-11. Epub 2011 May 16. PubMed PMID: 21576451; PubMed Central PMCID: PMC3147613. 2: Romine JL, St Laurent DR, Leet JE, Martin SW, Serrano-Wu MH, Yang F, Gao M, O'Boyle DR 2nd, Lemm JA, Sun JH, Nower PT, Huang XS, Deshpande MS, Meanwell NA, Snyder LB. Inhibitors of HCV NS5A: From Iminothiazolidinones to Symmetrical Stilbenes. ACS Med Chem Lett. 2011 Jan 11;2(3):224-9. doi: 10.1021/ml1002647. eCollection 2011 Mar 10. PubMed PMID: 24900306; PubMed Central PMCID: PMC4017990. 3: Lemm JA, O'Boyle D 2nd, Liu M, Nower PT, Colonno R, Deshpande MS, Snyder LB, Martin SW, St Laurent DR, Serrano-Wu MH, Romine JL, Meanwell NA, Gao M. Identification of hepatitis C virus NS5A inhibitors. J Virol. 2010 Jan;84(1):482-91. doi: 10.1128/JVI.01360-09. PubMed PMID: 19812153; PubMed Central PMCID: PMC2798423.