ENFLICOXIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H12F5N3O2S
Molecular Weight	405.342
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENFLICOXIB

Structure Search

SMILES

NS(=O)(=O)C1=CC=C(C=C1)N2N=C(CC2C3=CC=C(F)C=C3F)C(F)(F)F

InChI

InChIKey=ZZMJXWXXMAAPLI-UHFFFAOYSA-N

InChI=1S/C16H12F5N3O2S/c17-9-1-6-12(13(18)7-9)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-7,14H,8H2,(H2,22,25,26)

HIDE SMILES / InChI

Molecular Formula	C16H12F5N3O2S
Molecular Weight	405.342
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Pharmacokinetics of E-6087, a new anti-inflammatory agent, in rats and dogs.	2001 Sep	11754039

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:30:43 GMT 2023` Edited by `admin` on `Sat Dec 16 16:30:43 GMT 2023`
Record UNII	VM9PYQ1MQG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ENFLICOXIB

Official Name

English

1-(4-AMINOSULFONYLPHENYL)-5-(2,4-DIFLUOROPHENYL)-4,5-DIHYDRO-3-TRIFLUOROMETHYL-1H-PYRAZOLE

Systematic Name

English

BENZENESULFONAMIDE, 4-(5-(2,4-DIFLUOROPHENYL)-4,5-DIHYDRO-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-

Systematic Name

English

enflicoxib [INN]

Common Name

English

E-6087

Code

English

4-(3-(2,4-DIFLUOROPHENYL)-5-(TRIFLUOROMETHYL)-3,4-DIHYDROPYRAZOL-2-YL)BENZENESULFONAMIDE

Systematic Name

English

E-6087, (±)-

Code

English

Code System Code Type Description

PUBCHEM

9953093

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

FDA UNII

VM9PYQ1MQG

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

SMS_ID

300000023685

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

NCI_THESAURUS

C174926

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

INN

11305

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

CAS

251442-94-1

Created by admin on Sat Dec 16 16:30:43 GMT 2023 , Edited by admin on Sat Dec 16 16:30:43 GMT 2023

PRIMARY

Related Record Type Details


					VM9PYQ1MQG

ACTIVE MOIETY

Comments:

E-6087 is a nonsteroidal anti-inflammatory compound that selectively inhibits cyclooxygenase-2. Because E-6087 has a chiral center, this compound is a racemic mixture of two stereoisomers, (+)-(R)-E-6087 (E-6231) and (-)-(S)-E-6087 (E-6232). Peak plasma levels of E-6231 were higher than levels obtained for E-6232.


					VM9PYQ1MQG

ACTIVE MOIETY

Comments:

E-6087,(+/-) 4-(5-(2,4-difluorophenyl)-4,5-dihydro- 3-trifluoromethyl-1H-pyrazol-1-yl) benzenesulfonamide, was synthesized and supplied by the Synthesis Department of Laboratorios Dr Esteve (Barcelona,Spain). This compound is a benzenesulfonamide that has shown anti-inflammatory, analgesic and antipyretic activity in animal models (Figure 1).