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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

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

TitleDatePubMed
Expanded-spectrum nonnucleoside reverse transcriptase inhibitors inhibit clinically relevant mutant variants of human immunodeficiency virus type 1.
1999 Dec
Novel 2,2-dioxide-4,4-disubstituted-1,3-H-2,1,3-benzothiadiazines as non-nucleoside reverse transcriptase inhibitors.
2000 Jan 17
Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors.
2000 May 18
Potency of nonnucleoside reverse transcriptase inhibitors (NNRTIs) used in combination with other human immunodeficiency virus NNRTIs, NRTIs, or protease inhibitors.
2002 Jun
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
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
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
  • Download
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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METABOLIC ENZYME -> SUBSTRATE
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TARGET -> INHIBITOR
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ACTIVE MOIETY