Bardoxolone methyl

• CAS: 218600-53-4
• Catalog Number: ACM218600534
• Category: Inhibitors
• Molecular Weight: 505.7g/mol
• Molecular Formula: C32H43NO4
• Description: Bardoxolone methyl (NSC 713200; RTA 402; CDDO Methyl ester) is a synthetic triterpenoid compound with potential antineoplastic and anti-inflammatory activities, acting as an activator of the Nrf2 pathway and an inhibitor of the NF-κB pathway.
• Synonyms: Bardoxolone methyl;CDDO-Me;CDDO methyl ester;218600-53-4;RTA 402;NSC 713200;NSC713200;RTA-402;RTA402;UNII-CEG1Q6OGU1;CEG1Q6OGU1;NSC-713200;bardoxolone-methyl;(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-methyl 11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate;CDDO-Methyl ester;methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate;NCGC00186460-01;TP-155;Bardoxolone (methyl);Bardoxolone methyl ester;CDDO-Me, 2;Bardoxolone methyl [USAN];DSSTox_CID_28690;DSSTox_RID_82960;DSSTox_GSID_48764;Bardoxolone methyl RTA 402;cc-371;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate;Bardoxolone Methyl (CDDO-Me);GTPL3443;Bardoxolone methyl (JAN/USAN);CHEMBL1762621;DTXSID5048764;SCHEMBL12521530;AOB1215;2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester;2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester;BDBM217379;BCP04660;ZINC3982151;Tox21_113229;2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic Acid Methyl Ester;s8078;AKOS025401880;ACN-035790;CCG-269743;CS-0598;DB05983;CDDO Methyl Ester, >=98% (HPLC);AC-26830;CSA:218600-53-4;Bardoxolone methyl;HY-13324;CAS-218600-53-4;D09585;NSC 713200; RTA 402; CDDO Methyl ester;Q4860208;(+)-methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate;(4aS,6aR,6bS,8aR,12aS,14bS)-Methyl 11-cyano-2,2,6a,6b,9,9,12a-he;Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester;RTA-402|||NSC-713200|||CDDO methyl ester|||2-Cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester
• IUPAC Name: methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
• Canonical SMILES: CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C
• InChI: InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1
• InChI Key: WPTTVJLTNAWYAO-KPOXMGGZSA-N
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Complexity: 1210
• Covalently-Bonded Unit Count: 1
• EC Number: 606-850-4
• Exact Mass: 505.31920885g/mol
• Heavy Atom Count: 37
• Hydrogen Bond Acceptor Count: 5
• Monoisotopic Mass: 505.31920885g/mol
• NSC Number: 713200
• Rotatable Bond Count: 2
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Topological Polar Surface Area: 84.2Ų
• UNII: CEG1Q6OGU1
• XLogP3: 6.7