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Allopurinol riboside

CAT: 0931-T13539-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13539-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16220-07-8
Target
Drug Metabolite, Endogenous Metabolite, Parasite
Related Pathways
Microbiology/Virology, Metabolism
Purity
0.9973
Bioactivity
Allopurinol riboside is a metabolite of allopurinol with potency against parasites. Allopurinol riboside competitively inhibits the action of purine nucleoside phosphorylase on inosine with a Ki of 277 μM.
Smiles
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c1nc[nH]c2=O
Molecular Formula
C10H12N4O5
Molecular Weight
268.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,5-Dihydro-1-beta-D-ribofuranosyl-4H-pyrazolo(3,4-d)pyrimidin-4-one

Allopurinol riboside is a nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position. It has a role as a metabolite. It is functionally related to an allopurinol.

CAS Number16220-07-8
PubChem CID135407110
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC10H12N4O5
Molecular Weight268.23
XLogP-2.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity405
SMILES
C1=NN(C2=C1C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
InChIKey
KFQUAMTWOJHPEJ-DAGMQNCNSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Dihydro-1-beta-D-ribofuranosyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CAS: 16220-07-8
CID: 135407110
Formula: C10H12N4O5
MW: 268.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.23
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass268.08076950
Monoisotopic Mass268.08076950
Topological Polar Surface Area129 Ų
Heavy Atom Count19
Formal Charge0
Complexity405
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

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Alternative Products

CatalogName
HY-101397-01Allopurinol riboside
HY-101397RAllopurinol riboside (Standard)
A20572-25Allopurinol riboside 25mg
A20572-5Allopurinol riboside 5mg
A20572-1Allopurinol riboside 1mg
A20572-100Allopurinol riboside 100mg

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