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MedKoo Cat#: 524516 | Name: BMS-688521

Description:

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

BMS-688521 is a small molecule antagonist of leukocyte function associated antigen-1 (LFA-1). It has provided proof-of-concept for LFA-1 as an immunological target.

Chemical Structure

BMS-688521
BMS-688521
CAS#893397-44-9

Theoretical Analysis

MedKoo Cat#: 524516

Name: BMS-688521

CAS#: 893397-44-9

Chemical Formula: C26H19Cl2N5O4

Exact Mass: 535.0814

Molecular Weight: 536.37

Elemental Analysis: C, 58.22; H, 3.57; Cl, 13.22; N, 13.06; O, 11.93

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-688521; BMS 688521; BMS688521; SCHEMBL5392413.
IUPAC/Chemical Name
6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid
InChi Key
LILGMDXLRPEBNH-HFZDXXHNSA-N
InChi Code
InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1
SMILES Code
O=C(C1=CC=C(N(C[C@H]2C3=CC=C(C#N)C=C3)C[C@]2(N(C)C(N4C5=CC(Cl)=CC(Cl)=C5)=O)C4=O)N=C1)O
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 536.37 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: Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W, Potin D, Launay M, Stetsko DK, Skala S, Davis PM, Lee D, Yang X, McIntyre KW, Balimane P, Patel K, Yang Z, Marathe P, Kadiyala P, Tebben AJ, Sheriff S, Chang CY, Ziemba T, Zhang H, Chen BC, DelMonte AJ, Aranibar N, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG. Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-tria zaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J Med Chem. 2010 May 13;53(9):3814-30. doi: 10.1021/jm100348u. PubMed PMID: 20405922.