HIV-1 integrase inhibitor 4

Category	HIV Integrase
CAS	1638504-66-1
Description	HIV-1 integrase inhibitor 4 is an HIV-1 integrase strand transfer (INST) inhibitor with an IC50 of 3.7 nM.

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Synonyms	1,8-Naphthyridine-3-carboxamide, 4-amino-N-[(2,4-difluorophenyl)methyl]-1,2-dihydro-1-hydroxy-2-oxo-6-[2-(phenylsulfonyl)ethyl]-; 4-Azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide; 4-Amino-N-(2,4-difluorobenzyl)-1-hydroxy-2-oxo-6-[2-(phenylsulfonyl)ethyl]-1,2-dihydro-1,8-naphthyridine-3-carboxamide
IUPAC Name	4-amino-6-[2-(benzenesulfonyl)ethyl]-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
Molecular Weight	514.50
Molecular Formula	C24H20F2N4O5S
Canonical SMILES	C1=CC=C(C=C1)S(=O)(=O)CCC2=CC3=C(N=C2)N(C(=O)C(=C3N)C(=O)NCC4=C(C=C(C=C4)F)F)O
InChI	InChI=1S/C24H20F2N4O5S/c25-16-7-6-15(19(26)11-16)13-29-23(31)20-21(27)18-10-14(12-28-22(18)30(33)24(20)32)8-9-36(34,35)17-4-2-1-3-5-17/h1-7,10-12,33H,8-9,13,27H2,(H,29,31)
InChIKey	GNATXMRYUGEZME-UHFFFAOYSA-N
Purity	≥95%
Density	1.517±0.06 g/cm3 (Predicted)
Solubility	Soluble in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	966
Exact Mass	514.11224725
Target	IC50: 3.7 nM (INST)
XLogP3-AA	2.8