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MedKoo Cat#: 125028 | Name: BMS-962212 HCl

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 HCl
CAS#1430115-97-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 125028

Name: BMS-962212 HCl

CAS#: 1430115-97-1 (HCl)

Chemical Formula: C32H29Cl2FN8O5

Exact Mass: 694.1600

Molecular Weight: 695.53

Elemental Analysis: C, 55.26; H, 4.20; Cl, 10.19; F, 2.73; N, 16.11; O, 11.50

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.
Bulk Inquiry
Related CAS #
1430115-97-1 (HCl) 1430114-34-3 (free base)
Synonym
YYV2NFY3RN; BMS-962212 hydrochloride; BMS-962212 HCl; BMS 962212 HCl; BMS962212 HCl; UNII-YYV2NFY3RN
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 hydrochloride
InChi Key
GCVZYXMJZGUOPS-OSENJQGJSA-N
InChi Code
InChI=1S/C32H28ClFN8O5.ClH/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);1H/b12-9+;/t30-;/m0./s1
SMILES Code
Cl.CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN([C@@H]3C(=O)NC4=CC=C(C=C4)C(O)=O)C(=O)\C=C\C5=C(C=CC(Cl)=C5F)N6C=NN=N6
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 695.53 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: 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.

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