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Chemical structure of CDDO-dhTFEA

GC35629

CDDO-dhTFEA

Also known as (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-N-(2,2,2-trifluoroethyl)-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide

CDDO-dhTFEA (RTA dh404) is a synthetic oleanane triterpenoid compound which potently activates Nrf2 and inhibits the pro-inflammatory transcription factor NF-κB

ChemicalCAS1191265-33-4MW574.72FormulaC33H45F3N2O3
CAS number
1191265-33-4
Molecular weight
574.72
Formula
C33H45F3N2O3
Solubility
DMSO： 260 mg/mL (452·39 mM)
InChIKey
RMYWYZJDSBWZHH-BFGQVZSYSA-N
Catalogue number
GC35629
Brand
GLPBIO
Computed properties PubChem CID 66775163 · XLogP 7.5 · TPSA 87 Ų · H-bond donors 1
XLogP
7.5
TPSA
87 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
41

SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CC(=O)[C@H]4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)NCC(F)(F)F)C)(C=C(C(=O)C3(C)C)C#N)C

Computed descriptors from PubChem (CID 66775163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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