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GP-1-515

CAT: 0013-GTR19209459-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209459-02Size:50 mg
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Description
GP-1-515 is a small molecule inhibitor targeting adenosine kinase, exhibiting anti-inflammatory properties. It is utilized in research to study purinergic signaling and inflammation in both cellular and animal models, providing a tool for investigating potential therapeutic pathways.
CAS Number
144928-48-3
Smiles
O[C@H]1[C@H] (N2C=3C (C (Br) =N2) =C (N) N=CN3) O[C@H] (CN) [C@H]1O
Molecular Formula
C10H13BrN6O3
Molecular Weight
345.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GP 1-515

an adenosine kinase inhibitor; structure given in first source

CAS Number144928-48-3
PubChem CID132663
IUPAC Name(2R,3R,4S,5R)-2-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol
Molecular FormulaC10H13BrN6O3
Molecular Weight345.15
XLogP-1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity366
SMILES
C1=NC(=C2C(=N1)N(N=C2Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N
InChI
InChI=1S/C10H13BrN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10-/m1/s1
InChIKey
LTTBFVDMHCIDPM-BHBWVORQSA-N
Chemical Structure
2D Structure
2D structure of GP 1-515
CAS: 144928-48-3
CID: 132663
Formula: C10H13BrN6O3
MW: 345.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.15
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass344.02325
Monoisotopic Mass344.02325
Topological Polar Surface Area145 Ų
Heavy Atom Count20
Formal Charge0
Complexity366
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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