| Size | Price | Stock | Qty |
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Purity: ≥98%
A-286982 is a potent inhibitor of the LFA-1/ICAM-1 interaction with IC50 of 44 nM in an LFA-1/ICAM-1 binding assay. It blocks the binding of lymphocyte function-associated antigen-1 (LFA-1) with the cell adhesion molecule ICAM-1 with the IC50 of 35 nM in a cell based assay (the LFA-1-mediated cell adhesion assays).
| ln Vitro |
A-286982 connects to the allosteric site of the I domain (IDAS). When allostery passes through the A-286982 binding site and transmits from the β subunit I-like domain to the α subunit ICAM binding site, it is expected that the allosteric ICAM inhibition will display the unbeatable competition that we have seen for A-286982[2].
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| References |
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| Molecular Formula |
C24H27N3O4S
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| Molecular Weight |
453.56
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| Exact Mass |
453.172
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| Elemental Analysis |
C, 63.56; H, 6.00; N, 9.26; O, 14.11; S, 7.07
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| CAS # |
280749-17-9
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| Related CAS # |
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| PubChem CID |
9846729
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
4.972
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
32
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| Complexity |
700
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]
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| InChi Key |
HTGGAYLWTDOFDK-PKNBQFBNSA-N
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| 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+
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| Chemical Name |
(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (2.20 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2048 mL | 11.0239 mL | 22.0478 mL | |
| 5 mM | 0.4410 mL | 2.2048 mL | 4.4096 mL | |
| 10 mM | 0.2205 mL | 1.1024 mL | 2.2048 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Antagonist competition by compounds 2A, 3,A-286982, and sICAM-1 in the LFA-1/ICAM-1 and LFA-1/small-molecule ELISAs.Protein Sci.2006 Feb;15(2):290-303. |
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Effect of antagonists on ligand binding in the LFA-1/ICAM-1 and LFA-1/small-molecule ELISAs.Protein Sci.2006 Feb;15(2):290-303. |
Structures of compounds 1–4,A-286982, and 5.Protein Sci.2006 Feb;15(2):290-303. |
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