869
(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE
Find entries where: 869
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE |
| Synonyms | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)-(6-METHANESULFONYL-4'-METHOXY-2-METHYL-BIPHENYL-3-YL)-METHANONE |
| Identifiers | (1-tert-butyl-5-hydroxy-pyrazol-4-yl)-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]methanone |
| Formula | C23 H26 N2 O5 S |
| Molecular Weight | 442.528 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C |
| InChI | InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3 |
| InChIKey | AVFXBZIGDFPGBY-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 0 |
| Bond Count | 59 |
| Aromatic Bond Count | 18 |
Drug Info: DrugBank
| DrugBank ID | DB02850? |
|---|---|
| Name | DAS869 |
| Groups | experimental |
| Synonyms | DAS869 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | MTTYSDKGAKPERGRFLHFHSVTFWVGNAKQAASFYCSKMGFEPLAYRGL... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
