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· · COA & SDS available for every product · Same-day shipping on in-stock items A 286982 - Moligand™, ≥98% , Inhibitor of integrin αLβ2, CAS No.280749-17-9, Inhibitor of integrin αLβ2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
A286982 | A899560 | UNII-5I8WFS075A | BDBM50092956 | F77491 | A 286,982 | (2E)-1-(4-Acetyl-1-piperazinyl)-3-[4-[[2-(1-methylethyl)phenyl]thio]-3-nitrophenyl]-2-propen-1-one | A286982 | A-286982 | cid_108661 | GTPL6592 | A 286982 | 1-(4-Acetyl-piperazin-1-
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
A286982 | A899560 | UNII-5I8WFS075A | BDBM50092956 | F77491 | A 286, 982 | (2E)-1-(4-Acetyl-1-piperazinyl)-3-[4-[[2-(1-methylethyl)phenyl]thio]-3-nitrophenyl]-2-propen-1-one | A286982 | A-286982 | cid_108661 | GTPL6592 | A 286982 | 1-(4-Acetyl-piperazin-1-
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Potent inhibitor of the LFA-1/ICAM-1 interaction (IC50values are 44 and 35 nM in LFA-1/ICAM-1 binding and LFA-1-mediated cell adhesion assays respectively).Lymphocyte function-associated antigen-1 (LFA-1) is a member of the leukocyte integrin family, whic
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of integrin αLβ2
Names and Identifiers Canonical Smiles CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-] IUPAC Name (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one InChIKey HTGGAYLWTDOFDK-PKNBQFBNSA-N 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+ Isomeric SMILES CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-] Molecular Weight 453.55 Reaxy-Rn 19179792 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19179792&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Cinnamic acids and derivatives Alternative Parents Diarylthioethers Cumenes Phenylpropanes Nitrobenzenes Thiophenol ethers Styrenes Nitroaromatic compounds Piperazines Tertiary carboxylic acid amides Acetamides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides Organic cations Molecular Framework Aromatic heteromonocyclic compounds Substituents Cinnamic acid or derivatives - Diarylthioether - Cumene - Nitrobenzene - Phenylpropane - Aryl thioether - Nitroaromatic compound - Styrene - Thiophenol ether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Acetamide - C-nitro compound - Organic nitro compound - Carboxamide group - Sulfenyl compound - Thioether - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic cation - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 45.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 22.68, Max Conc. mM: 50；DMF: 30 mg/ml Molecular Weight 453.600 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 453.172 Da Monoisotopic Mass 453.172 Da Topological Polar Surface Area 112.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 700.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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