BMS-962212 | CAS#1430114-34-3 | inhibitor of FXIa

MedKoo Cat#: 562064 | Name: BMS-962212

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Description:

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

BMS-962212 is a reversible, direct, and highly selective inhibitor of FXIa.

Chemical Structure

BMS-962212

CAS#1430114-34-3 (free base)

Theoretical Analysis

MedKoo Cat#: 562064

Name: BMS-962212

CAS#: 1430114-34-3 (free base)

Chemical Formula: C32H28ClFN8O5

Exact Mass: 658.1855

Molecular Weight: 659.07

Elemental Analysis: C, 58.32; H, 4.28; Cl, 5.38; F, 2.88; N, 17.00; O, 12.14

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 850.00	2 Weeks
5mg	USD 1,950.00	2 Weeks

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Related CAS #

1430115-97-1 (HCl) 1430114-34-3 (free base)

Synonym

BMS-962212; BMS 962212; BMS962212;

IUPAC/Chemical Name

(S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

InChi Key

WYFCZWSWFGJODV-MIANJLSGSA-N

InChi Code

InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1

SMILES Code

O=C(O)C1=CC=C(NC([C@H]2N(C(/C=C/C3=C(N4N=NN=C4)C=CC(Cl)=C3F)=O)CCC5=C2C=CC=C5N6C(CN(C)CC6)=O)=O)C=C1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 659.07 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: Perera V, Luettgen JM, Wang Z, Frost CE, Yones C, Russo C, Lee J, Zhao Y, LaCreta FP, Ma X, Knabb RM, Seiffert D, DeSouza M, Mugnier P, Cirincione B, Ueno T, Frost RJA. First in human study to assess safety, pharmacokinetics and pharmacodynamics of BMS-962212, a direct, reversible, small molecule factor XIa inhibitor in non-Japanese and Japanese healthy subjects. Br J Clin Pharmacol. 2018 Jan 18. doi: 10.1111/bcp.13520. [Epub ahead of print] PubMed PMID: 29346838. 2: Pinto DJP, Orwat MJ, Smith LM 2nd, Quan ML, Lam PYS, Rossi KA, Apedo A, Bozarth JM, Wu Y, Zheng JJ, Xin B, Toussaint N, Stetsko P, Gudmundsson O, Maxwell B, Crain EJ, Wong PC, Lou Z, Harper TW, Chacko SA, Myers JE Jr, Sheriff S, Zhang H, Hou X, Mathur A, Seiffert DA, Wexler RR, Luettgen JM, Ewing WR. Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J Med Chem. 2017 Dec 14;60(23):9703-9723. doi: 10.1021/acs.jmedchem.7b01171. Epub 2017 Nov 17. PubMed PMID: 29077405.