TAZOFELONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H27NO2S
Molecular Weight	321.477
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C1=CC(CC2SCNC2=O)=CC(=C1O)C(C)(C)C

InChI

InChIKey=ILMMRHUILQOQGP-UHFFFAOYSA-N

InChI=1S/C18H27NO2S/c1-17(2,3)12-7-11(9-14-16(21)19-10-22-14)8-13(15(12)20)18(4,5)6/h7-8,14,20H,9-10H2,1-6H3,(H,19,21)

HIDE SMILES / InChI

Molecular Formula	C18H27NO2S
Molecular Weight	321.477
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://adisinsight.springer.com/drugs/800006634 | https://www.ncbi.nlm.nih.gov/pubmed/9394028

Tazofelone (also known as LY 213829), a suppressant, is a cyclo-oxygenase 2 inhibitor that was studied for the treatment of Crohn's disease, irritable bowel syndrome and ulcerative colitis. However, Eli Lilly discontinued the further development of this compound.

Approval Year

PubMed

Title	Date	PubMed
In vitro biotransformation and identification of human cytochrome P450 isozyme-dependent metabolism of tazofelone.	1997 Dec	9394028
Stereoselective metabolism of tazofelone, an anti-inflammatory bowel disease agent, in rats and dogs and in human liver microsomes.	1999	10079502
Discovery of a solid solution of enantiomers in a racemate-forming system by seeding.	2006 Sep 13	16953640

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Rectal

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:35:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:35:15 UTC 2023`
Record UNII	VH2I1JN8Q1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAZOFELONE

Official Name

English

(±)-5-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-4-THIAZOLIDINONE

Systematic Name

English

LY213829

Code

English

4-THIAZOLIDINONE, 5-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, (±)-

Systematic Name

English

LY-213829

Code

English

TAZOFELONE [USAN]

Common Name

English

tazofelone [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C574