DPC-963

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H9F5N2O
Molecular Weight	316.2266
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DPC-963

Structure Search

SMILES

C1CC1C#C[C@]2(c3c(ccc(c3F)F)N=C(N2)O)C(F)(F)F

InChI

InChIKey=QCNJQJJFXFJVCX-ZDUSSCGKSA-N

InChI=1S/C14H9F5N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H9F5N2O
Molecular Weight	316.2266
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

PubMed

Title	Date	PubMed
Expanded-spectrum nonnucleoside reverse transcriptase inhibitors inhibit clinically relevant mutant variants of human immunodeficiency virus type 1.	1999 Dec	10582878
Novel 2,2-dioxide-4,4-disubstituted-1,3-H-2,1,3-benzothiadiazines as non-nucleoside reverse transcriptase inhibitors.	2000 Jan 17	10673109
Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors.	2000 May 18	10821714
Potency of nonnucleoside reverse transcriptase inhibitors (NNRTIs) used in combination with other human immunodeficiency virus NNRTIs, NRTIs, or protease inhibitors.	2002 Jun	12019069
Delineating novel metabolic pathways of DPC 963, a non-nucleoside reverse transcriptase inhibitor, in rats. Characterization of glutathione conjugates of postulated oxirene and benzoquinone imine intermediates by LC/MS and LC/NMR.	2002 Mar	11896687
Metabolism of (S)-5,6-difluoro-4-cyclopropylethynyl-4-trifluoromethyl-3, 4-dihydro-2(1H)-quinazolinone, a non-nucleoside reverse transcriptase inhibitor, in human liver microsomes. Metabolic activation and enzyme kinetics.	2003 Jan	12485961

Substance Class	Chemical Created by `admin` on `Sat Jun 26 05:11:54 UTC 2021` Edited by `admin` on `Sat Jun 26 05:11:54 UTC 2021`
Record UNII	XEW2AAG1IS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DPC-963

Code

English

2(1H)-QUINAZOLINONE, 4-(CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-3,4-DIHYDRO-4-(TRIFLUOROMETHYL)-, (4S)-

Systematic Name

English

(4S)-4-(2-CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-4-(TRIFLUOROMETHYL)-1,3-DIHYDROQUINAZOLIN-2-ONE

Systematic Name

English

(S)-5,6-DIFLUORO-4-(CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2(1H)-QUINAZOLINONE

Systematic Name

English

DPC 963

Code

English

DMP-963

Code

English

Code System Code Type Description

PUBCHEM

474121

Created by admin on Sat Jun 26 05:11:55 UTC 2021 , Edited by admin on Sat Jun 26 05:11:55 UTC 2021

PRIMARY

CAS

214287-90-8

Created by admin on Sat Jun 26 05:11:55 UTC 2021 , Edited by admin on Sat Jun 26 05:11:55 UTC 2021

PRIMARY

EPA CompTox

214287-90-8

Created by admin on Sat Jun 26 05:11:55 UTC 2021 , Edited by admin on Sat Jun 26 05:11:55 UTC 2021

PRIMARY

FDA UNII

XEW2AAG1IS

Created by admin on Sat Jun 26 05:11:55 UTC 2021 , Edited by admin on Sat Jun 26 05:11:55 UTC 2021

PRIMARY

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METABOLITE -> PARENT

Comments:

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DPC-963

ACTIVE MOIETY