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Bardoxolone

CAT: 1410-M17438-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17438-05Size:50 mg
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Description
CDDO is a synthetic oleanane triterpenoid that blocks the cellular synthesis of inducible nitric oxide synthase and inducible COX-2 in INF-γ-activated mouse macrophages with an IC50 value of 0.4 nM.
CAS Number
218600-44-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
491.7
Molecular Formula
C31H41NO4
Notes
Research use only, not for human use.
Receptor
Nrf2

Chemical Information

Bardoxolone

Bardoxolone is a member of cyclohexenones.

CAS Number218600-44-3
PubChem CID400010
IUPAC Name(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-carboxylic acid
Molecular FormulaC31H41NO4
Molecular Weight491.7
XLogP6.4
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count36
Formal Charge0
Complexity1200
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)O
InChI
InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1
InChIKey
TXGZJQLMVSIZEI-UQMAOPSPSA-N
Chemical Structure
2D Structure
2D structure of Bardoxolone
CAS: 218600-44-3
CID: 400010
Formula: C31H41NO4
MW: 491.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.7
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass491.30355879
Monoisotopic Mass491.30355879
Topological Polar Surface Area95.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity1200
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

Alternative Products

CatalogName
B1170-5Bardoxolone
FB15804-01Bardoxolone methyl
S6647-25mgBardoxolone (CDDO)

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