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1,3-dimethyl-2-oxobenzimidazole-5-carboxamide , CAS No.D608890, bromodomain and PHD finger containing 1;Inhibitor of bromodomain containing 4
Basic Description Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action bromodomain and PHD finger containing 1;Inhibitor of bromodomain containing 4
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 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide INCHI InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14) InChi Key BRBLVCVSNVSPMT-UHFFFAOYSA-N Canonical SMILES NC(=O)c1ccc2c(c1)n(C)c(=O)n2C Isomeric SMILES CN1C2=C(C=C(C=C2)C(=O)N)N(C1=O)C PubChem CID 1091852
Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 205.210 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 205.085 Da Monoisotopic Mass 205.085 Da Topological Polar Surface Area 66.600 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 305.000 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. Demont EH, Bamborough P, Chung CW, Craggs PD, Fallon D, Gordon LJ, Grandi P, Hobbs CI, Hussain J, Jones EJ et al. . (2014) 1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain.. ACS Med Chem Lett, 5 (11): (1190-1195). [PMID:25408830 ] [10.1021/op500134e ]
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