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CDDO-EA

CAT: 0804-HY-12213-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12213-07Size:100 mg
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Description
CDDO-EA is an NF-E2 related factor 2/antioxidant response element (Nrf2/ARE) activator.
CAS Number
932730-51-3
Product Name Alternative
CDDO ethyl amide; TP319; RTA 405
UNSPSC
12352211
Target
Keap1-Nrf2
Type
Reference compound
Related Pathways
NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/CDDO-EA.html
Concentration
10mM
Purity
99.78
Solubility
DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C1C(C#N)=C[C@@]2(C)[C@](CC[C@]([C@@]3(C)[C@@]4([H])[C@@]5([H])[C@@](CCC(C)(C)C5)(C(NCC)=O)CC3)(C)C2=CC4=O)([H])C1(C)C
Molecular Formula
C33H46N2O3
Molecular Weight
518.73
References & Citations
[1]Neymotin A, et al. Neuroprotective effect of Nrf2/ARE activators, CDDO ethylamide and CDDO trifluoroethylamide, in a mouse model of amyotrophic lateral sclerosis. Free Radic Biol Med. 2011 Jul 1;51 (1) :88-96.|[2]Liby K, et al. The synthetic triterpenoids CDDO-methyl ester and CDDO-ethyl amide prevent lung cancer induced by vinyl carbamate in A/J mice. Cancer Res. 2007 Mar 15;67 (6) :2414-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cddo-EA
CAS Number932730-51-3
PubChem CID44159258
IUPAC Name(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-N-ethyl-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide
Molecular FormulaC33H46N2O3
Molecular Weight518.7
XLogP6.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity1230
SMILES
CCNC(=O)[C@@]12CC[C@@]3([C@@H]([C@@H]1CC(CC2)(C)C)C(=O)C=C4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C
InChI
InChI=1S/C33H46N2O3/c1-9-35-27(38)33-14-12-28(2,3)18-21(33)25-22(36)16-24-30(6)17-20(19-34)26(37)29(4,5)23(30)10-11-31(24,7)32(25,8)13-15-33/h16-17,21,23,25H,9-15,18H2,1-8H3,(H,35,38)/t21-,23-,25-,30-,31+,32+,33-/m0/s1
InChIKey
RZRQJICXYQPEQJ-YKEYHJQHSA-N
Chemical Structure
2D Structure
2D structure of Cddo-EA
CAS: 932730-51-3
CID: 44159258
Formula: C33H46N2O3
MW: 518.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.7
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass518.35084333
Monoisotopic Mass518.35084333
Topological Polar Surface Area87 Ų
Heavy Atom Count38
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3614749-01CDDO-EA
A16299-200CDDO-EA 200mg
A16299-50CDDO-EA 50mg
A16299-25CDDO-EA 25mg
A16299-10CDDO-EA 10mg
A16299-5CDDO-EA 5mg
A16299-1CDDO-EA 1mg
A16299-100CDDO-EA 100mg
A16299-10mM-DCDDO-EA 10mM * 1mL in DMSO
MBS130347-01CDDO EA, RTA 405, tP 319

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