DENV-IN-5

Category	Human immunodeficiency Virus (HIV)
CAS	2375781-06-7
Description	DENV-IN-5 is a dengue virus (DENV) inhibitor with EC50s of 1.47, 9.23, 7.08 and 8.91 μM against DENV-I - IV replication, respectively. DENV-IN-5 also inhibits HIV-1IIIB strain with an EC50 of 0.1512 μM.

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Synonyms	4(3H)-Pyrimidinone, 2-[[[4-chloro-5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]methyl]thio]-6-(cyclohexylmethyl)-5-ethyl-; 2-[[[4-Chloro-5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]methyl]thio]-6-(cyclohexylmethyl)-5-ethyl-4(3H)-pyrimidinone; 2-(((4-Chloro-5-(3,4-difluorophenyl)-1H-pyrazol-3-yl)methyl)thio)-6-(cyclohexylmethyl)-5-ethylpyrimidin-4(3H)-one
IUPAC Name	2-[[4-chloro-3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-4-(cyclohexylmethyl)-5-ethyl-1H-pyrimidin-6-one
Molecular Weight	478.99
Molecular Formula	C23H25ClF2N4OS
Canonical SMILES	CCC1=C(N=C(NC1=O)SCC2=C(C(=NN2)C3=CC(=C(C=C3)F)F)Cl)CC4CCCCC4
InChI	InChI=1S/C23H25ClF2N4OS/c1-2-15-18(10-13-6-4-3-5-7-13)27-23(28-22(15)31)32-12-19-20(24)21(30-29-19)14-8-9-16(25)17(26)11-14/h8-9,11,13H,2-7,10,12H2,1H3,(H,29,30)(H,27,28,31)
InChIKey	GYGFJKYRVOOELP-UHFFFAOYSA-N
Boiling Point	613.8±65.0 °C at 760 mmHg
Purity	≥98%
Density	1.43±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Solid
Storage	Store at 2-8 °C