Home Other Building Blocks (4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE

(4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE

CAS No.:
214287-99-7
Catalog Number:
AG00BHU1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BHU1
Chemical Name:
(4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE
CAS Number:
214287-99-7
MDL Number:
MFCD26960895
IUPAC Name:
(4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
InChI:
InChI=1S/C14H12ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-8H,1-2H2,(H2,19,20,21)/b6-5+/t13-/m0/s1
InChI Key:
UXDWYQAXEGVSPS-GFUIURDCSA-N
UNII:
2498M8N65F
Properties
Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
316.059g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.708g/mol
Monoisotopic Mass:
316.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
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QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorganic & medicinal chemistry 20060901
Recent advances in the development of next generation non-nucleoside reverse transcriptase inhibitors. Current topics in medicinal chemistry 20040101
General scope of 1,4-diastereoselective additions to a 2(3H)-quinazolinone: practical preparation of HIV therapeutics. The Journal of organic chemistry 20030207
Potency of nonnucleoside reverse transcriptase inhibitors (NNRTIs) used in combination with other human immunodeficiency virus NNRTIs, NRTIs, or protease inhibitors. Antimicrobial agents and chemotherapy 20020601
DPC-083. DuPont Pharmaceuticals. Current opinion in investigational drugs (London, England : 2000) 20010901
4,1-Benzoxazepinone analogues of efavirenz (Sustiva) as HIV-1 reverse transcriptase inhibitors. Bioorganic & medicinal chemistry letters 20010604
New antiretroviral agents. The Hopkins HIV report : a bimonthly newsletter for healthcare providers 20010301
Trifluoromethyl-containing 3-alkoxymethyl- and 3-aryloxymethyl-2-pyridinones are potent inhibitors of HIV-1 non-nucleoside reverse transcriptase. Bioorganic & medicinal chemistry letters 20010212
3,3a-Dihydropyrano[4,3,2-de]quinazolin-2(1H)-ones are potent non-nucleoside reverse transcriptase inhibitors. Bioorganic & medicinal chemistry letters 20010122
Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry 20000518
Expanded-spectrum nonnucleoside reverse transcriptase inhibitors inhibit clinically relevant mutant variants of human immunodeficiency virus type 1. Antimicrobial agents and chemotherapy 19991201
Properties