WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 531346
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.
MedKoo Cat#: 531346
Chemical Formula: C24H27N3O4S
Exact Mass: 453.1722
Molecular Weight: 453.557
Elemental Analysis: C, 63.56; H, 6.00; N, 9.26; O, 14.11; S, 7.07
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
|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|
The following data is based on the product molecular weight 453.557 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|
|In vitro protocol:||TBD|
|In vivo protocol:||TBD|
1. Liu, G., Link, J.T., Pei, Z., et al. 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. 43(21), 4025-4040 (2000).