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CDDO-Me

CAT: 0013-GTR19171684-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171684-01Size:5 mg
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Description
Bardoxolone Methyl (TP-155) is a synthetic triterpenoid that activates the Nrf2 antioxidant pathway while inhibiting the pro-inflammatory NF-κB pathway. It has demonstrated anti-inflammatory and potential anti-tumor activity in various in vitro and in vivo research models, including studies on kidney disease and cancer.
CAS Number
218600-53-4
Product Name Alternative
Bardoxolone methyl; RTA 402; TP-155; CDDO-Methyl ester
Field of Research
Cancer Biology, Cell Biology
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (25 mg/ml, warm)
Smiles
[H][C@@]12CC (C) (C) CC[C@@]1 (CC[C@]1 (C) C2C (=O) C=C2[C@@]1 (C) CC[C@@]1 ([H]) C (C) (C) C (=O) C (=C[C@]21C) C#N) C (=O) OC
Molecular Formula
C32H43NO4
Molecular Weight
505.7
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2-Cyano-3,12-dioxooleana-1,9 (11) -dien-28-oic acid methyl ester

Chemical Information

Bardoxolone Methyl

Bardoxolone methyl is a member of cyclohexenones.

CAS Number218600-53-4
PubChem CID400769
IUPAC Namemethyl (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
Molecular FormulaC32H43NO4
Molecular Weight505.7
XLogP6.7
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count37
Formal Charge0
Complexity1210
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)OC
InChI
InChI=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-/m0/s1
InChIKey
WPTTVJLTNAWYAO-KPOXMGGZSA-N
Chemical Structure
2D Structure
2D structure of Bardoxolone Methyl
CAS: 218600-53-4
CID: 400769
Formula: C32H43NO4
MW: 505.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.7
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass505.31920885
Monoisotopic Mass505.31920885
Topological Polar Surface Area84.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity1210
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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