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ANA975

CAT: 1410-M16149-01Size: 1 EachDry Ice: NoHazardous: No
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Description
ANA975 is an oral prodrug of the TLR-7 agonist Isatoribine (ANA245;7-Thia-8-oxoguanosine) against hepatitis C virus (HCV) infection.
CAS Number
847453-47-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
384.363
Molecular Formula
C14H16N4O7S
Notes
Research use only, not for human use.
Receptor
TLR

Chemical Information

Isotorabine

ANA975 is a toll-like receptor 7 agonist that is developed for the treatment of hepatitis C.

CAS Number847453-47-8
PubChem CID11234476
IUPAC Name[(2R,3R,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
Molecular FormulaC14H16N4O7S
Molecular Weight384.37
XLogP-0.8
Topological Polar Surface Area179
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity594
SMILES
CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C3=NC(=NC=C3SC2=O)N)CO
InChI
InChI=1S/C14H16N4O7S/c1-5(20)23-9-7(4-19)25-12(10(9)24-6(2)21)18-11-8(26-14(18)22)3-16-13(15)17-11/h3,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17)/t7-,9-,10-,12-/m1/s1
InChIKey
ZWELIJXAKMASLK-UGKPPGOTSA-N
Chemical Structure
2D Structure
2D structure of Isotorabine
CAS: 847453-47-8
CID: 11234476
Formula: C14H16N4O7S
MW: 384.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.37
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass384.07397004
Monoisotopic Mass384.07397004
Topological Polar Surface Area179 Ų
Heavy Atom Count26
Formal Charge0
Complexity594
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
MBS3606147-01ANA975

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