N-((4As,6Ar,6Bs,8Ar,12As,14Ar,14Bs)-11-Cyano-2,2,6A,6B,9,9,12A-Heptamethyl-10,14-Dioxo-1,3,4,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-Hexadecahydropicen-4A(2H)-Yl)-2,2-Difluoropropanamide N-((4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-氰基-2,2,6a,6b,9,9,12a-七甲基-10,14-二氧代-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-十六氢苉-4a(2H)-基)-2,2-二氟丙酰胺
CAS 1474034-05-3 MFCD574034053
化学结构图
SMILES: CC1(C)CC[C@@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1
化学属性
| Mol. Weight | 554.71087 |
|---|---|
| Appearance | White solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | N-((4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-氰基-2,2,6a,6b,9,9,12a-七甲基-10,14-二氧代-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-十六氢苉-4a(2H)-基)-2,2-二氟丙酰胺 |
|---|---|
| Chemical Name | N-((4As,6Ar,6Bs,8Ar,12As,14Ar,14Bs)-11-Cyano-2,2,6A,6B,9,9,12A-Heptamethyl-10,14-Dioxo-1,3,4,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-Hexadecahydropicen-4A(2H)-Yl)-2,2-Difluoropropanamide |
| Formula | C33H44F2N2O3 |
| Synonym | RTA408; RTA408; RTA-408. Omaveloxolone |
| IUPAC Name | N-((4aR,6aR,6bS,12aS,14aR,14bR)-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-octadecahydropicen-4a-yl)-2,2-difluoropropanamide |
| InChIKey | RJCWBNBKOKFWNY-HGNIWHNWSA-N |
| InChI | InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22?,24+,29+,30-,31-,33-/m1/s1 |
| Canonical SMILES | CC(F)(F)C(N[C@]1(CCC(C)(C[C@@]1([C@]23[H])[H])C)CC[C@@]2(C)[C@]4(C)CCC5C(C)(C)C(C(C#N)=C[C@]5(C)C4=CC3=O)=O)=O |
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产品应用
- Omaveloxolone, also known as RTA-408, is a member of the synthetic oleanane triterpenoid class of compounds and an activator of nuclear factor erythroid 2 [NF-E2]-related factor 2 (Nrf2, Nfe2l2), with potential chemopreventive activity. Upon administration, RTA 408 activates the cytoprotective transcription factor Nrf2. In turn, Nrf2 translocates to the nucleus, dimerizes with a small Maf protein (sMaf), and binds to the antioxidant response element (ARE). This induces the expression of a number of cytoprotective genes, including NAD(P)H quinone oxidoreductase 1 (NQO1), sulfiredoxin 1 (Srxn1), heme oxygenase-1 (HO1, HMOX1), superoxide dismutase 1 (SOD1), gamma-glutamylcysteine synthetase (gamma-GCS), thioredoxin reductase-1 (TXNRD1), glutathione S-transferase (GST), glutamate-cysteine ligase catalytic subunit (Gclc) and glutamate-cysteine ligase regulatory subunit (Gclm), and increases the synthesis of the antioxidant glutathione (GSH).
