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Mericitabine

CAT: 1299-RM-M230000-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M230000-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
940908-79-2
Synonyms
(2R,3R,4R,5R) -5- (4-amino-2-oxopyrimidin-1 (2H) -yl) -4-fluoro-2- ((isobutyryloxy) methyl) -4-methyltetrahydrofuran-3-yl isobutyrate
Molecular Formula
C18H26FN3O6
Molecular Weight
399.42
Target Alternative Name
Maltotriitol
Product Name Synonym
(2R,3R,4R,5R) -5- (4-amino-2-oxopyrimidin-1 (2H) -yl) -4-fluoro-2- ((isobutyryloxy) methyl) -4-methyltetrahydrofuran-3-yl isobutyrate

Chemical Information

Mericitabine

Mericitabine has been investigated for the treatment of Hepatitis C, Chronic. Mericitabine is a polymerase inhibitor being developed for the treatment of chronic hepatitis C. Mericitabine is a prodrug of PSI-6130, which demonstrated excellent potency in preclinical studies. PSI-6130 is a pyrimidine nucleoside analog inhibitor of HCV RNA polymerase, an enzyme that is necessary for hepatitis C viral replication.

CAS Number940908-79-2
PubChem CID16122663
IUPAC Name[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular FormulaC18H26FN3O6
Molecular Weight399.4
XLogP1.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity707
SMILES
CC(C)C(=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
InChI
InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1
InChIKey
MLESJYFEMSJZLZ-MAAOGQSESA-N
Chemical Structure
2D Structure
2D structure of Mericitabine
CAS: 940908-79-2
CID: 16122663
Formula: C18H26FN3O6
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass399.18056372
Monoisotopic Mass399.18056372
Topological Polar Surface Area121 Ų
Heavy Atom Count28
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP15287-01Mericitabine
A11539-5Mericitabine 5mg
A11539-100Mericitabine 100mg
A11539-50Mericitabine 50mg
A11539-25Mericitabine 25mg
HY-10240R-01Mericitabine (Standard)
A11539-10Mericitabine 10mg
A11539-200Mericitabine 200mg
A11539-1Mericitabine 1mg
A11539-10mM-DMericitabine 10mM * 1mL in DMSO

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