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MedKoo Cat#: 524457 | Name: BMS-243117

Description:

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

BMS-243117 is a potent, and selective Lck inhibitor with good cellular activity (IC(50)=1.1 microM) against T-cell proliferation. Inhibition of Lck with small molecules has significant potential for therapeutic immunosuppression and treatment of diseases such as rheumatoid arthritis and asthma.

Chemical Structure

BMS-243117
BMS-243117
CAS#225521-80-2

Theoretical Analysis

MedKoo Cat#: 524457

Name: BMS-243117

CAS#: 225521-80-2

Chemical Formula: C20H21ClN4O2S

Exact Mass: 416.1074

Molecular Weight: 416.92

Elemental Analysis: C, 57.62; H, 5.08; Cl, 8.50; N, 13.44; O, 7.67; S, 7.69

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 #
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Synonym
BMS-243117; BMS 243117; BMS243117; UNII-MBE6KWV0QI; CHEMBL67237; MBE6KWV0QI; SCHEMBL6058200.
IUPAC/Chemical Name
6-Benzothiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((((1,1-dimethylethyl)amino)carbonyl)amino)-
InChi Key
FIVXJBFMVDAATB-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
SMILES Code
Cc1cccc(c1NC(=O)c2ccc3c(c2)sc(n3)NC(=O)NC(C)(C)C)Cl
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, not in water
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

Preparing Stock Solutions

The following data is based on the product molecular weight 416.92 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: Das J, Lin J, Moquin RV, Shen Z, Spergel SH, Wityak J, Doweyko AM, DeFex HF, Fang Q, Pang S, Pitt S, Shen DR, Schieven GL, Barrish JC. Molecular design, synthesis, and structure-Activity relationships leading to the potent and selective p56(lck) inhibitor BMS-243117. Bioorg Med Chem Lett. 2003 Jul 7;13(13):2145-9. PubMed PMID: 12798323. 2: Meyn MA 3rd, Smithgall TE. Small molecule inhibitors of Lck: the search for specificity within a kinase family. Mini Rev Med Chem. 2008 Jun;8(6):628-37. Review. PubMed PMID: 18537718.