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

MedKoo CAT#: 531346

CAS#: 280749-17-9

Description: A286982 is an inhibitor that blocks the integrin-ligand interaction between leukocyte function-associated antigen-1 (LFA-1) and intercellular adhesion molecule-1. A286982 showed IC50 values 44 and 35 nM in LFA-1/ICAM-1 binding and LFA-1-mediated cell adhesion assays respectively.

Chemical Structure

CAS# 280749-17-9

Theoretical Analysis

MedKoo Cat#: 531346
Name: A286982
CAS#: 280749-17-9
Chemical Formula: C24H27N3O4S
Exact Mass: 453.17
Molecular Weight: 453.557
Elemental Analysis: C, 63.56; H, 6.00; N, 9.26; O, 14.11; S, 7.07

Price and Availability

Size Price Availability Quantity
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 2150 2 Weeks
1g USD 3150 2 Weeks
2g USD 5150 2 Weeks
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Synonym: A286982

IUPAC/Chemical Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one


InChi Code: InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+

SMILES Code: O=C(N1CCN(C(C)=O)CC1)/C=C/C2=CC=C(SC3=CC=CC=C3C(C)C)C([N+]([O-])=O)=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: Soluble in DMSO

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:

Biological target: A286982 is an inhibitor blocking the integrin-ligand interaction between leukocyte function-associated antigen-1 (LFA-1) and intercellular adhesion molecule-1.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 45.4 100.00
Ethanol 22.7 50.00

Preparing Stock Solutions

The following data is based on the product molecular weight 453.56 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
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Liu G, Link JT, Pei Z, Reilly EB, Leitza S, Nguyen B, Marsh KC, Okasinski GF, von Geldern TW, Ormes M, Fowler K, Gallatin M. Discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 1. Identification of an additional binding pocket based on an anilino diaryl sulfide lead. J Med Chem. 2000 Oct 19;43(21):4025-40. doi: 10.1021/jm0002782. PMID: 11052808.

2: Keating SM, Clark KR, Stefanich LD, Arellano F, Edwards CP, Bodary SC, Spencer SA, Gadek TR, Marsters JC Jr, Beresini MH. Competition between intercellular adhesion molecule-1 and a small-molecule antagonist for a common binding site on the alphal subunit of lymphocyte function-associated antigen-1. Protein Sci. 2006 Feb;15(2):290-303. doi: 10.1110/ps.051583406. Epub 2005 Dec 29. PMID: 16384997; PMCID: PMC2242450.