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Screening compounds

Bardoxolone

Also known as CDDO, (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, RTA 401

CAS 218600-44-3Formula C31H41NO4Molar mass 491.67 g/mol
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Bardoxolone chemical structure, C31H41NO4, CAS 218600-44-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
218600-44-3
Formula
C31H41NO4
Molar mass
491.67 g/mol
HS code
292690
Category
Screening compounds

What is Bardoxolone?

Plain description, key identifiers and synonyms

Bardoxolone is a member of cyclohexenones.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
218600-44-3 CAS number cross-checked
Molecular formula
C31H41NO4
UNII
7HT68L8941
MDL number
MFCD07772296
InChIKey
TXGZJQLMVSIZEI-UQMAOPSPSA-N
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
Canonical SMILES
CC1(C)CCC2(C(=O)O)CCC3(C)C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1
Isomeric 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

Synonyms

  • CDDO
  • (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
  • RTA 401
  • 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid
  • Bardoxolona
  • (+)-2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid
  • Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-
  • CDDO acid
  • bardoxolonum
  • 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid
  • 11-Cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydro-2H-picene-4a-carboxylic acid
  • Bardoxolone (USAN/INN)
  • CDDO, RTA 401, 2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic Acid,
  • CDDO(Bardoxolone, RTA 401)
  • CDDO(Bardoxolone, RTA 401)?
  • 2-cyano-3,9-dien-28-oic acid
  • RTA 402, CCDO, (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

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
491.67 g/molcalc.
Exact mass
491.3036 Dacalc.
LogP (octanol/water)
6.29calc.
Topological polar surface area
95.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC2C3=CC(=O)C4C5CCCCC5CCC4C3CCC2C1

O=C1C=CC2C3=CC(=O)C4C5CCCCC5CCC4C3CCC2C1

5 rings, 24 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Bardoxolone suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    BardoxoloneGrade, purity and minimum order on request
    Price on request
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Bardoxolone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacology

Bardoxolone is a synthetic triterpenoid compound with potential antineoplastic and anti-inflammatory activities. Bardoxolone blocks the synthesis of inducible nitric oxide synthase (iNOS) and inducible cyclooxygenase (COX-2), two enzymes involved in inflammation and carcinogenesis. This agent also inhibits the interleukin-1 (IL-1)-induced expression of the pro-inflammatory proteins matrix metalloproteinase-1 (MMP-1) and matrix metalloproteinase-13 (MMP-13) and the expression of Bcl-3, Bcl-3 is an IL-1-responsive gene that preferentially contributes to MMP-1 gene expression.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bardoxolone is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bardoxolone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bardoxolone, based on the data on this page

What is Bardoxolone?

Bardoxolone is a member of cyclohexenones.

What is the CAS number of Bardoxolone?

The CAS registry number of Bardoxolone is 218600-44-3.

What is the molecular formula and weight of Bardoxolone?

The molecular formula of Bardoxolone is C31H41NO4 and its molar mass is 491.67 g/mol.

What is Bardoxolone used for?

Known uses and roles of Bardoxolone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bardoxolone hazardous?

No GHS hazard classification for Bardoxolone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bardoxolone?

Bardoxolone is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bardoxolone?

CompoundList lists 1 supplier of Bardoxolone in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bardoxolone?

Suppliers quote Bardoxolone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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