GW-3333

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36N4O4
Molecular Weight	420.5456
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C(C)C)N(O)C=O)C(=O)NC1=NC=CC=C1

InChI

InChIKey=SMZPWUUYPYYHIV-HNJRGHQBSA-N

InChI=1S/C22H36N4O4/c1-7-16(6)19(22(29)24-18-10-8-9-11-23-18)25-21(28)17(12-14(2)3)20(15(4)5)26(30)13-27/h8-11,13-17,19-20,30H,7,12H2,1-6H3,(H,25,28)(H,23,24,29)/t16-,17+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H36N4O4
Molecular Weight	420.5456
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007-01	17003167
CYP3A induction by N-hydroxyformamide tumor necrosis factor-alpha converting enzyme/matrix metalloproteinase inhibitors use of a pregname X receptor activation assay and primary hepatocyte culture for assessing induction potential in humans.	2003-07	12814963

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:55:59 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:59 GMT 2025`
Record UNII	54J77T5T74
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTANAMIDE, 3-(FORMYLHYDROXYAMINO)-4-METHYL-2-(2-METHYLPROPYL)-N-((1S,2S)-2-METHYL-1-((2-PYRIDINYLAMINO)CARBONYL)BUTYL)-, (2R,3S)-

Preferred Name

English

GW-3333

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20943682

Created by admin on Mon Mar 31 21:55:59 GMT 2025 , Edited by admin on Mon Mar 31 21:55:59 GMT 2025

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CAS

212609-68-2

Created by admin on Mon Mar 31 21:55:59 GMT 2025 , Edited by admin on Mon Mar 31 21:55:59 GMT 2025

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FDA UNII

54J77T5T74

Created by admin on Mon Mar 31 21:55:59 GMT 2025 , Edited by admin on Mon Mar 31 21:55:59 GMT 2025

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PUBCHEM

216470

Created by admin on Mon Mar 31 21:55:59 GMT 2025 , Edited by admin on Mon Mar 31 21:55:59 GMT 2025

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Related Record Type Details


					54J77T5T74

GW-3333

ACTIVE MOIETY