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Chemical structure of CDDO-Im (RTA-403)

GC32723

CDDO-Im (RTA-403)

Also known as (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile

CDDO-Im (RTA-403) (RTA-403) is an activator of Nrf2 and PPAR, with Kis of 232 and 344 nM for PPARα and PPARγ

ChemicalCAS443104-02-7MW541.72FormulaC34H43N3O3
CAS number
443104-02-7
Molecular weight
541.72
Formula
C34H43N3O3
Solubility
DMSO ： 50 mg/mL (92·30 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
ITFBYYCNYVFPKD-FMIDTUQUSA-N
Catalogue number
GC32723
Brand
GLPBIO
Computed properties PubChem CID 9958995 · XLogP 6.5 · TPSA 92.8 Ų · H-bond donors 0
XLogP
6.5
TPSA
92.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
40

SMILES C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)N6C=CN=C6

Computed descriptors from PubChem (CID 9958995), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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