WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H531346
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.
Hodoodo Cat#: H531346
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
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 Key: HTGGAYLWTDOFDK-PKNBQFBNSA-N
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 |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 45.4 | 100.00 | |
| Ethanol | 22.7 | 50.00 |
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.
| 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 |
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.
