Products for Research Use Only
RegisterLogin

Bardoxolone

CAT: 0931-T2915-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T2915-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
218600-44-3
Target
SARS-CoV, Necroptosis, Nrf2, Virus Protease
Related Pathways
Microbiology/Virology, Immunology/Inflammation, Apoptosis
Purity
0.9919
Bioactivity
Bardoxolone (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. By suppressing reactive oxygen and nitrogen species (ROS/RNS) formation, it promotes the cellular control of ROS/RNS levels that would lead to DNA damage associated with tumorigenesis. In various Y cell lines, Bardoxolone has been shown to specifically inhibit proliferation and induce apoptosis. Mechanism studies revealed that Bardoxolone is a ligand for peroxisome proliferator-activated receptor γ, and also that it induces genes regulated by Nrf2, including heme oxygenase-1 and eotaxin-1, which play a role in antioxidant response element signaling activity.
Smiles
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)C2CC[C@@]31C)C(O)=O
Molecular Formula
C31H41NO4
Molecular Weight
491.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
FLB29884-01Bardoxolone
262095-01Bardoxolone methyl
S6647-25mgBardoxolone (CDDO)

Popular Products