CDDO-Im (RTA-403)

CAT: 0957-S9723-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0957-S9723-100mgSize:100 mg

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CAS Number

443104-02-7

Synonyms

CDDO-Imidazolide, TP-235

Target

Nrf2

Applications

NF-κB

Smiles

CC1 (C) CCC2 (CCC3 (C) C (C2C1) C (=O) C=C4C5 (C) C=C (C#N) C (=O) C (C) (C) C5CCC34C) C (=O) [N]6C=CN=C6

Molecular Formula

C34H43N3O3

Additionnal Information

CDDO-Im (RTA-403) is an activator of nuclear factor erythroid 2–related factor 2 (Nrf2) and peroxisome proliferator-activated receptor (PPAR) . CDDO-Im binds to PPARα and PPARγ with Ki of 232 nM and 344 nM, respectively. CDDO-Im inhibits inflammatory response and tumor growth in vivo.

Storage Conditions

3 years -20°C powder

Chemical Information

(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile

CAS Number	443104-02-7
PubChem CID	9958995
IUPAC Name	(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile
Molecular Formula	C34H43N3O3
Molecular Weight	541.7
XLogP	6.5
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	40
Formal Charge	0
Complexity	1310

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)N6C=CN=C6

InChI

InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3/t22-,24-,26-,31-,32+,33+,34-/m0/s1

InChIKey

ITFBYYCNYVFPKD-FMIDTUQUSA-N

Chemical Structure

2D Structure

CAS: 443104-02-7

CID: 9958995

Formula: C34H43N3O3

MW: 541.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	541.7
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	541.33044224
Monoisotopic Mass	541.33044224
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1310
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
S9723-1g	CDDO-Im (RTA-403)
MBS130347-01	CDDO EA, RTA 405, tP 319
254913	CDDO Im
MBS3614029-01	CDDO-Im
BA3225-1	CDDO-2P-Im
HY-135953-01	CDDO-3P-Im
A16308-5	CDDO-Im 5mg

CDDO-Im (RTA-403)

Chemical Information

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