BMS-654457 | CAS#1004551-41-0 | Xia factor inhibitor

MedKoo Cat#: 465870 | Name: BMS-654457

Description:

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

BMS-654457 is a novel reversible and direct inhibitor of factor Xia.

Chemical Structure

BMS-654457

CAS#1004551-41-0

Theoretical Analysis

MedKoo Cat#: 465870

Name: BMS-654457

CAS#: 1004551-41-0

Chemical Formula: C36H37N5O4

Exact Mass: 603.2846

Molecular Weight: 603.72

Elemental Analysis: C, 71.62; H, 6.18; N, 11.60; O, 10.60

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 #

No Data

Synonym

BMS-654457; BMS654457; BMS 654457;

IUPAC/Chemical Name

3'-((2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)-4-carbamoyl-5'-(3-methylbutanamido)-[1,1'-biphenyl]-2-carboxylic acid

InChi Key

PDUMJXCNOKHQKH-SVXHESJVSA-N

InChi Code

InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1

SMILES Code

O=C(O)C1=CC(C(N)=O)=CC=C1C2=CC(NC(CC(C)C)=O)=CC([C@H]3NC4=C(C=C(C(N)=N)C=C4)[C@](C5=CC=CC=C5)(C)C3)=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

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 603.72 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: Wong PC, Quan ML, Watson CA, Crain EJ, Harpel MR, Rendina AR, Luettgen JM, Wexler RR, Schumacher WA, Seiffert DA. In vitro, antithrombotic and bleeding time studies of BMS-654457, a small-molecule, reversible and direct inhibitor of factor XIa. J Thromb Thrombolysis. 2015 Nov;40(4):416-23. doi: 10.1007/s11239-015-1258-7. PMID: 26249722.