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HCV-IN-31

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Category Hepatitis C Virus (HCV)
CAS 1998705-62-6
Description HCV-IN-31 is an inhibitor of HCV, with an EC50/EC95 of 15.7 μM for HCV replicon.
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Product Information

Synonyms (2R,3R,4R,5R)-5-(2-amino-6-(methylamino)-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-ol; Adenosine, 2-amino-2'-deoxy-2'-fluoro-N,2'-dimethyl-, (2'R)-; 2-Amino-2'-deoxy-2'-fluoro-N,2'-dimethyladenosine
IUPAC Name (2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
Molecular Weight 312.30
Molecular Formula C12H17FN6O3
Canonical SMILES CC1(C(C(OC1N2C=NC3=C(N=C(N=C32)N)NC)CO)O)F
InChI InChI=1S/C12H17FN6O3/c1-12(13)7(21)5(3-20)22-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20-21H,3H2,1-2H3,(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1
InChIKey HPINXBYYNVDDEB-GSWPYSDESA-N
Boiling Point 685.1±65.0°C at 760 mmHg
Purity ≥95%
Density 1.8±0.1 g/cm3
Solubility Soluble in DMSO
Appearance White to off-white (Solid)
Storage Store at 2-8°C, protect from light
Complexity 420
Exact Mass 312.13461659
Target EC50: 0.010 ± 0.004 μM (HCV)
XLogP3-AA 0.4

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