CDDO Methyl Ester- CAS 218600-53-4


CDDO Methyl Ester(cas 218600-53-4) is the lead molecule in Reata/’s portfolio of Antioxidant Inflammation Modulators (AIMs). The AIMs are potent inducers of the transcription factor Nrf2.



The C-28 methyl ester of CDDO (CDDO methyl ester) blocks the cellular synthesis of inducible nitric oxide synthase (iNOS) and inducible COX-2 in INF-γ-activated mouse macrophages with an IC50 value of 0.11 nM. It induces apoptosis, induces differentiation, and inhibits the inflammatory response in various tumor cells through inhibition of IκBα kinase/NF-κB signaling. CDDO methyl ester has potent antidiabetic activity, reducing proinflammatory cytokine expression in high fat diet-fed type 2 diabetic mice and in Leprdb/db mice and triggering AMP-activated protein kinase and LKB1 activation in muscle and liver.

Catalog Number: I002670

CAS Number: 218600-53-4

PubChem Substance ID:355040410

Molecular Formula: C32H43NO4

Molecular Weight:505.7

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonymsmethyl (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

Property

Molecular Formula: C32H43NO4
Molecular Weight505.7
Target:JAK
SolubilityDMSO: ≥ 49 mg/mL
Purity≥95%
StorageStore at -20°C

Computed Descriptor

InChIInChI=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+/m1/s1
InChIKeyWPTTVJLTNAWYAO-UEXZUOMCSA-N
SMILESCC1(C)CC[[email protected]]2(C(OC)=O)CC[[email protected]@]([[email protected]@]3([H])[[email protected]]2([H])C1)(C)[[email protected]]4(C)CC[[email protected]@]5([H])C(C)(C)C(C(C#N)=C[[email protected]]5(C)C4=CC3=O)=O