Milvexian trifluoroacetate | CAS# 1802426-00-1 | Biochemical

MedKoo Cat#: 577415 | Name: Milvexian TFA

Description:

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

Milvexian, also known as BMS-986177 and JNJ-70033093, is a blood coagulation factor XIa inhibitor. Milvexian demonstrated good selectivity over plasma kallikreinKi = 44 nM (400-fold selective), and chymotrypsinKi = 35 nM (318-fold selective). At a dose of 1.5 mg/kg, Milvexian exhibited an overall exposure of 1215 nM/h, low clearance of 10.3 mL/min/kg, and oral bioavailability of 32%.

Chemical Structure

Milvexian TFA

CAS#1802426-00-1 (TFA)

Theoretical Analysis

MedKoo Cat#: 577415

Name: Milvexian TFA

CAS#: 1802426-00-1 (TFA)

Chemical Formula: C30H24Cl2F5N9O

Exact Mass: 0.0000

Molecular Weight: 740.47

Elemental Analysis: C, 48.66; H, 3.27; Cl, 9.57; F, 12.83; N, 17.02; O, 8.64

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 #

1802426-00-1 (TFA) 1802425-99-5 (free base)

Synonym

Milvexian TFA; Milvexian; BMS-986177; BMS 986177; BMS986177; JNJ-70033093; JNJ 70033093; JNJ70033093;

IUPAC/Chemical Name

(5R,9S)-9-(4-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxopyrimidin-1(6H)-yl)-21-(difluoromethyl)-5-methyl-21H-3-aza-1(4,2)-pyridina-2(5,4)-pyrazolacyclononaphan-4-one 2,2,2-trifluoroacetate

InChi Key

BNDDKCJHMXEGIX-WUTOIGTNSA-N

InChi Code

InChI=1S/C28H23Cl2F2N9O2.C2HF3O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40;3-2(4,5)1(6)7/h5-15,23,28H,2-4H2,1H3,(H,36,43);(H,6,7)/t15-,23+;/m1./s1

SMILES Code

FC(N1C(C2=CC=NC([C@@H](N3C(C=C(C4=C(N5C=C(N=N5)Cl)C=CC(Cl)=C4)N=C3)=O)CCC[C@H]6C)=C2)=C(C=N1)NC6=O)F.O=C(O)C(F)(F)F

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 740.47 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. Dilger AK, Pabbisetty KB, Corte JR, De Lucca I, Fang T, Yang W, Pinto DJP, Wang Y, Zhu Y, Mathur A, Li J, Hou X, Smith D, Sun D, Zhang H, Krishnananthan S, Wu DR, Myers JE Jr, Sheriff S, Rossi KA, Chacko S, Zheng JJ, Galella MA, Ziemba T, Dierks EA, Bozarth JM, Wu Y, Crain E, Wong PC, Luettgen JM, Wexler RR, Ewing WR. Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J Med Chem. 2021 Sep 8. doi: 10.1021/acs.jmedchem.1c00613. Epub ahead of print. PMID: 34494428.