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146739-86-8 | 1(2H)-Quinoxalinecarboxylic acid, 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-, 1-methylethenyl ester
CAS No: 146739-86-8 Catalog No: AG001EAH MDL No:
Product Description
Catalog Number:
AG001EAH
Chemical Name:
1(2H)-Quinoxalinecarboxylic acid, 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-, 1-methylethenyl ester
CAS Number:
146739-86-8
Molecular Formula:
C14H15ClN2O2S
Molecular Weight:
310.7991
IUPAC Name:
prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-sulfanylidene-4H-quinoxaline-1-carboxylate
InChI:
InChI=1S/C14H15ClN2O2S/c1-8(2)19-13(18)17-11-7-9(15)5-6-10(11)16-12(20)14(17,3)4/h5-7H,1H2,2-4H3,(H,16,20)
InChI Key:
UNOJVGJCKUQAGH-UHFFFAOYSA-N
SMILES:
O=C(N1c2cc(Cl)ccc2NC(=S)C1(C)C)OC(=C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.796g/mol
Monoisotopic Mass:
310.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A proline-to-histidine substitution at position 225 of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) sensitizes HIV-1 RT to BHAP U-90152. | The Journal of general virology 19980601 |
| Retention of marked sensitivity to (S)-4-isopropoxycarbonyl-6-methoxy-3-(methylthiomethyl)-3,4-di hydroquin oxaline-2(1H)-thione (HBY 097) by an azidothymidine (AZT)-resistant human immunodeficiency virus type 1 (HIV-1) strain subcultured in the combined presence of quinoxaline HBY 097 and 2',3'-dideoxy-3'-thiacytidine (lamivudine). | Biochemical pharmacology 19980301 |
| Characteristics of the Pro225His mutation in human immunodeficiency virus type 1 (HIV-1) reverse transcriptase that appears under selective pressure of dose-escalating quinoxaline treatment of HIV-1. | Journal of virology 19971101 |
| In vitro selection for different mutational patterns in the HIV-1 reverse transcriptase using high and low selective pressure of the nonnucleoside reverse transcriptase inhibitor HBY 097. | Virology 19970428 |
| Marked inhibitory activity of non-nucleoside reverse transcriptase inhibitors against human immunodeficiency virus type 1 when combined with (-)2',3'-dideoxy-3'-thiacytidine. | Molecular pharmacology 19960501 |
| Selective pressure of a quinoxaline nonnucleoside inhibitor of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) on HIV-1 replication results in the emergence of nucleoside RT-inhibitor-specific (RT Leu-74-->Val or Ile and Val-75-->Leu or Ile) HIV-1 mutants. | Proceedings of the National Academy of Sciences of the United States of America 19960109 |
| Preclinical evaluation of HBY 097, a new nonnucleoside reverse transcriptase inhibitor of human immunodeficiency virus type 1 replication. | Antimicrobial agents and chemotherapy 19951001 |
| Suppression of the breakthrough of human immunodeficiency virus type 1 (HIV-1) in cell culture by thiocarboxanilide derivatives when used individually or in combination with other HIV-1-specific inhibitors (i.e., TSAO derivatives). | Proceedings of the National Academy of Sciences of the United States of America 19950606 |
| Resistance pattern of human immunodeficiency virus type 1 reverse transcriptase to quinoxaline S-2720. | Journal of virology 19941201 |
| Activity of a novel quinoxaline derivative against human immunodeficiency virus type 1 reverse transcriptase and viral replication. | Antimicrobial agents and chemotherapy 19930801 |
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