| CAS ID: | 218600-44-3 |
| Molecular Formula: | C31H41NO4 |
| Molecular Weight: | 491.7 g/mol |
| Monoisotopic Mass: | 491.3036 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | RTA 401 | CDDO | 2-CYANO-3,12-DIOXOOLEANA-1,9(11)-DIEN-28-OIC ACID | BARDOXOLONE |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1 | See All |
| InChI Key: | TXGZJQLMVSIZEI-UQMAOPSPSA-N | |
| Smiles: | CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 21765824 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Pulmonary fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | |||
| Mechanism | Targeting PPARγ | ||
Reference Record 2
| PubMed ID | 24175906 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Idiopathic pulmonary fibrosis |
| Process I | |||
| Process II | fibroblasts migration | ||
| Process III | |||
| Mechanism | |||
| PubChem: | 400010 |
| ChEMBL: | CHEMBL1093059 |