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251922-77-7 | 1H-Pyrrole-2-butanoic acid, 1-[(4-fluorophenyl)methyl]-α,γ-dioxo-
CAS No: 251922-77-7 Catalog No: AG002QTI MDL No:
Product Description
Catalog Number:
AG002QTI
Chemical Name:
1H-Pyrrole-2-butanoic acid, 1-[(4-fluorophenyl)methyl]-α,γ-dioxo-
CAS Number:
251922-77-7
Molecular Formula:
C15H12FNO4
Molecular Weight:
289.2585
IUPAC Name:
4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid
InChI:
InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
InChI Key:
PJIBKQJSMPMZCH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1cccc1C(=O)CC(=O)C(=O)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.262g/mol
Monoisotopic Mass:
289.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of novel hybrid dicaffeoyltartaric/diketo acid and tetrazole-substituted L-chicoric acid analogue inhibitors of human immunodeficiency virus type 1 integrase. | Journal of medicinal chemistry 20101125 |
| Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors. | ChemMedChem 20090901 |
| Design and synthesis of novel dihydroquinoline-3-carboxylic acids as HIV-1 integrase inhibitors. | Bioorganic & medicinal chemistry 20090401 |
| Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities. | Journal of medicinal chemistry 20080814 |
| Triketoacid inhibitors of HIV-integrase: a new chemotype useful for probing the integrase pharmacophore. | Bioorganic & medicinal chemistry letters 20060601 |
| L-chicoric acid inhibits human immunodeficiency virus type 1 integration in vivo and is a noncompetitive but reversible inhibitor of HIV-1 integrase in vitro. | Virology 20040901 |
| 6-aryl-2,4-dioxo-5-hexenoic acids, novel integrase inhibitors active against HIV-1 multiplication in cell-based assays. | Bioorganic & medicinal chemistry letters 20040405 |
| HIV-1 integrase inhibitors: a decade of research and two drugs in clinical trial. | Current topics in medicinal chemistry 20040101 |
| Human immunodeficiency virus type-1 integrase containing a glycine to serine mutation at position 140 is attenuated for catalysis and resistant to integrase inhibitors. | Virology 20030201 |
| Inhibition of human immunodeficiency virus type 1 isolates by the integrase inhibitor L-731,988, a diketo Acid. | Antimicrobial agents and chemotherapy 20021001 |
| 4-Aryl-2,4-dioxobutanoic acid inhibitors of HIV-1 integrase and viral replication in cells. | Journal of medicinal chemistry 20001228 |
| Inhibitors of strand transfer that prevent integration and inhibit HIV-1 replication in cells. | Science (New York, N.Y.) 20000128 |
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