7-Deaza-2'-C-methyladenosine

Category	Hepatitis C Virus (HCV)
CAS	443642-29-3
Description	7-Deaza-2'-C-methyladenosine is a hepatitis C virus (HCV) polymerase inhibitor.

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Synonyms	2'-b-C-methyltubercidin; MK-0608; MK 608; 7-deaza-2'-C-methyladenosine; 7-DMA; (2R,3R,4R,5R)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol; 7-(2-C-Methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name	(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular Weight	280.28
Molecular Formula	C12H16N4O4
Canonical SMILES	CC1(C(C(OC1N2C=CC3=C2N=CN=C3N)CO)O)O
InChI	InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1
InChIKey	IRZRJANZDIOOIF-GAJNKVMBSA-N
Boiling Point	620.7±55.0°C (Predicted)
Melting Point	222°C
Purity	≥95%
Density	1.75±0.1 g/cm3 (Predicted)
Solubility	Soluble in Methanol, Acetonitrile, DMSO
Appearance	White Solid
Application	Hepatitis C virus (HCV) polymerase inhibitor.
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly.
Storage	Store at -20°C
Complexity	373
Exact Mass	280.11715500
In Vivo	Oral dosing of MK-0608 results in a potent antiviral effect. In preclinical pharmacokinetic experiments with rats, dogs, and rhesus monkeys, MK-0608 demonstrates good to excellent oral bioavailability (50 to 100%) and long plasma half-lives in dogs and rhesus macaques (9 and 14 h, respectively).
Target	EC50: 0.3 μM (HCV replication)
XLogP3-AA	-1.2