CDDO-dhTFEA - ≥99% , CAS No.1191265-33-4

CAS: 1191265-33-4 Cat. No.: C647005 Formula: C₃₃H₄₅F₃N₂O₃ Molecular Weight: 574.72 PubChem CID: 66775163

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CDDO-dhTFEA (RTA dh404) is a synthetic oleanane triterpenoid compound which potently activates Nrf2 and inhibits the pro-inflammatory transcription factor NF-κB CDDO-dhTFEA restores hypertension (MAP), increases Nrf2 and expression of its target genes, attenuates activation of NF-κB and transforming growth factor-β pathways, and reduces glomerulosclerosis, interstitial fibrosis and inflammation in the chronic kidney disease (CKD) rats .

Form:Solid

IC50& Target:Nrf2 NF-κB

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

CDDO-dhTFEA (RTA dh404) is a synthetic oleanane triterpenoid compound which potently activates Nrf2 and inhibits the pro-inflammatory transcription factor NF-κB. CDDO-dhTFEA restores hypertension (MAP), increases Nrf2 and expression of its target gen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

Canonical Smiles

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)NCC(F)(F)F)C

IUPAC Name

(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-N-(2,2,2-trifluoroethyl)-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide

InChIKey

RMYWYZJDSBWZHH-BFGQVZSYSA-N

INCHI

1S/C33H45F3N2O3/c1-27(2)10-12-32(26(41)38-18-33(34,35)36)13-11-31(7)24(20(32)16-27)21(39)14-23-29(5)15-19(17-37)25(40)28(3,4)22(29)8-9-30(23,31)6/h15,20,22-24H,8-14,16,18H2,1-7H3,(H,38,41)/t20-,22-,23+,24-,29-,30+,31+,32-/m0/s1

Isomeric SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC(=O)[C@H]4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)NCC(F)(F)F)C)(C=C(C(=O)C3(C)C)C#N)C

PubChem CID

66775163

Molecular Weight

574.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Naphthalenecarboxamides Cyclohexenones N-acyl amines Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Nitriles Carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 2-naphthalenecarboxamide - Cyclohexenone - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - N-acyl-amine - Fatty amide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Cyclic ketone - Ketone - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (174.00 mM; Need ultrasonic)
• Molecular Weight: 574.700 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 574.338 Da
• Monoisotopic Mass: 574.338 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1191265-33-4, the molecular formula is C33H45F3N2O3, and the molecular weight is 574.72 g/mol. InChIKey RMYWYZJDSBWZHH-BFGQVZSYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.