A286982
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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

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A286982
CAS# 280749-17-9

Theoretical Analysis

MedKoo Cat#: 531346
Name: A286982
CAS#: 280749-17-9
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

Price and Availability

Size Price Availability Quantity
25.0mg USD 250.0 Ready to ship
50.0mg USD 450.0 Ready to ship
100.0mg USD 750.0 Ready to ship
200.0mg USD 1250.0 Ready to ship
500.0mg USD 2150.0 2 Weeks
1.0g USD 3150.0 2 Weeks
2.0g USD 5150.0 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 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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 45.35 100.0
Ethanol 22.68 50.0

Preparing Stock Solutions

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.

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, 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).

A286982

25.0mg / USD 250.0