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L6H21 , CAS No.L611397, Inhibitor of lymphocyte antigen 96
Basic Description Synonyms L6H21 | 18778-38-6 | (E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one | (2E)-3-(2,3-Dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one | (e)-2,3-dimethoxy-4'-methoxychalcone | MD-2 inhibitor L6H21 | 2,3,4'-trimethoxychalcone | GTPL9027 | CHEMBL2013139 | DTXS Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of lymphocyte antigen 96
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name (E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one INCHI InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+ InChi Key IECVLMVZGCYCSZ-FMIVXFBMSA-N Canonical SMILES COc1ccc(cc1)C(=O)/C=C/c1cccc(c1OC)OC Isomeric SMILES COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC PubChem CID 5346378
Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 298.300 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 298.121 Da Monoisotopic Mass 298.121 Da Topological Polar Surface Area 44.800 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 371.000 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
References 1. Wang Y, Shan X, Chen G, Jiang L, Wang Z, Fang Q, Liu X, Wang J, Zhang Y, Wu W et al. . (2015) MD-2 as the target of a novel small molecule, L6H21, in the attenuation of LPS-induced inflammatory response and sepsis.. Br J Pharmacol, 172 (17): (4391-405). [PMID:26076332 ] [10.1021/op500134e ]
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