MedKoo Cat#: 145728 | Name: BMS-986318

Description:

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

BMS-986318 is primarily known as a selective inhibitor of Bruton's tyrosine kinase (BTK). BTK plays a critical role in the development and function of B cells, which are part of the immune system. By inhibiting BTK, BMS-986318 aims to treat various autoimmune diseases and B-cell malignancies such as rheumatoid arthritis and certain types of lymphoma.

Chemical Structure

BMS-986318
BMS-986318
CAS#2314378-09-9

Theoretical Analysis

MedKoo Cat#: 145728

Name: BMS-986318

CAS#: 2314378-09-9

Chemical Formula: C30H23Cl2F3N4O3

Exact Mass: 614.1100

Molecular Weight: 615.43

Elemental Analysis: C, 58.55; H, 3.77; Cl, 11.52; F, 9.26; N, 9.10; O, 7.80

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 #
No Data
Synonym
BMS-986318; BMS986318; BMS 986318;
IUPAC/Chemical Name
6-(2-(5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)isoxazol-4-yl)-7-azaspiro[3.5]non-1-en-7-yl)-4-(trifluoromethyl)quinoline-2-carboxylic acid
InChi Key
WPGAVSDZYIRUGE-UHFFFAOYSA-N
InChi Code
1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)
SMILES Code
OC(=O)C1=NC2=CC=C(C=C2C(=C1)C(F)(F)F)N3CCC4(CC(=C4)C5=C(ON=C5C6=C(Cl)C=NC=C6Cl)C7CC7)CC3
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 615.43 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: Carpenter J, Wu G, Wang Y, Cook EM, Wang T, Sitkoff D, Rossi KA, Mosure K, Zhuo X, Cao GG, Ziegler M, Azzara AV, Krupinski J, Soars MG, Ellsworth BA, Wacker DA. Discovery of BMS-986318, a Potent Nonbile Acid FXR Agonist for the Treatment of Nonalcoholic Steatohepatitis. ACS Med Chem Lett. 2021 Aug 5;12(9):1413-1420. doi: 10.1021/acsmedchemlett.1c00198. PMID: 34531950; PMCID: PMC8436248. 2: Nara SJ, Jogi S, Cheruku S, Kandhasamy S, Jaipuri F, Kathi PK, Reddy S, Sarodaya S, Cook EM, Wang T, Sitkoff D, Rossi KA, Ruzanov M, Kiefer SE, Khan JA, Gao M, Reddy S, Sivaprasad Lvj S, Sane R, Mosure K, Zhuo X, Cao GG, Ziegler M, Azzara A, Krupinski J, Soars MG, Ellsworth BA, Wacker DA. Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2022 Jul 14;65(13):8948-8960. doi: 10.1021/acs.jmedchem.2c00165. Epub 2022 Jun 15. PMID: 35704802.