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ischemin , CAS No.1357059-00-7, Inhibitor of CREB binding protein
Basic Description Synonyms Ischemin | 1357059-00-7 | 5-[(E)-(2-Amino-4-Hydroxy-5-Methylphenyl)diazenyl]-2,4-Dimethylbenzenesulfonic Acid | (E)-5-((2-Amino-4-hydroxy-5-methylphenyl)diazenyl)-2,4-dimethylbenzenesulfonic acid | MS120 | starbld0044871 | GTPL7506 | CHEMBL1615026 | SCHEMBL12484996 | CHEBI Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of CREB binding protein
Associated Targets(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 5-[(2E)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,4-dimethylbenzenesulfonic acid INCHI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+ InChi Key WGEVKJVUKOELFY-QGOAFFKASA-N Canonical SMILES NC1=CC(=O)C(=C/C/1=N\Nc1cc(c(cc1C)C)S(=O)(=O)O)C Isomeric SMILES CC1=CC(=C(C=C1N=NC2=C(C=C(C(=C2)C)O)N)S(=O)(=O)O)C PubChem CID 135566302
Certificates(CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 335.400 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 3 Exact Mass 335.094 Da Monoisotopic Mass 335.094 Da Topological Polar Surface Area 134.000 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 533.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
References 1. Borah JC, Mujtaba S, Karakikes I, Zeng L, Muller M, Patel J, Moshkina N, Morohashi K, Zhang W, Gerona-Navarro G et al. . (2011) A small molecule binding to the coactivator CREB-binding protein blocks apoptosis in cardiomyocytes.. Chem Biol, 18 (4): (531-41). [PMID:21513889 ] [10.1021/op500134e ]
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