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RSV-IN-1

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Category Respiratory syncytial Virus (RSV)
CAS 861139-16-4
Description RSV-IN-1 is a human respiratory syncytical virus (hRSV) inhibitor with IC50 value of 0.11 μM.
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Product Information

Synonyms N-(2-hydroxyethyl)-4-methoxy-N-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
IUPAC Name N-(2-hydroxyethyl)-4-methoxy-N-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Molecular Weight 427.48
Molecular Formula C20H21N5O4S
Canonical SMILES CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N(C)CCO)OC)C4=CC=CC=C14
InChI InChI=1S/C20H21N5O4S/c1-13-15-6-4-5-7-16(15)19-21-22-20(25(19)23-13)17-12-14(8-9-18(17)29-3)30(27,28)24(2)10-11-26/h4-9,12,26H,10-11H2,1-3H3
InChIKey RKHSOIYWKCMPHF-UHFFFAOYSA-N
Purity 99.95%
Density 1.4±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance White to off-white (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 689
Exact Mass 427.13142534
Index Of Refraction 1.685
In Vitro The concentration of P13 that reduces the number of RSV plaques in HEp-2 cells by 50% (IC50) is 0.11 μM. The concentration of P13 that reduces the viability of HEp-2 by 50% (CC50) is 310 μM. Note that some cytotoxicity of P13 observed at 500 μM might be due to DMSO solvent. Hence, the selective index (CC50/IC50) values is 2818 for P13. Note that even at the relatively high concentrations P13 does not completely block the development of RSV plaques. These escape plaques are of smaller size and of non-syncytial phenotype as compared to plaques formed in the absence of inhibitor.
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Target IC50: 0.11μM (hRSV)
XLogP3-AA 1.5

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