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CAY10498

CAT: 0931-T37669-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T37669-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863202-33-9
Target
Others, Adenosine Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
The A1, A2A, A2B, and A3 adenosine receptors (ARs) are ubiquitous G protein-coupled receptors. The four AR subtypes have been implicated in several areas of therapeutic interest such as stroke and other ischemic conditions, as well as inflammation, neurodegenerative diseases, diabetes, and sleep regulation. A3 AR antagonists are of interest as therapeutic agents in glaucoma agents and inflammation. CAY10498 is a potent and selective A3 AR antagonist exhibiting a Ki of 37 nM with 60 and 200-fold selectivity over A1 and A2A adenosine receptors, respectively. CAY10498 is also a structural analog of reversine, a dedifferentiation agent of embryonic progenitor cells. However, no dedifferentiation effects or any connection between A3 AR antagonism and dedifferentiation have been demonstrated.
Smiles
N(C1=C2C(=NC(NC3=CC=CC=C3)=N1)N=CN2)[C@H]4[C@@]5(C[C@](C4)(CC5)[H])[H]
Molecular Formula
C18H20N6
Molecular Weight
320.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-phenyl-amino-N6-endo-norbornyladenine
CAS Number863202-33-9
PubChem CID53394567
IUPAC Name6-N-(2-bicyclo[2.2.1]heptanyl)-2-N-phenyl-7H-purine-2,6-diamine
Molecular FormulaC18H20N6
Molecular Weight320.4
XLogP4
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity439
SMILES
C1CC2CC1CC2NC3=NC(=NC4=C3NC=N4)NC5=CC=CC=C5
InChI
InChI=1S/C18H20N6/c1-2-4-13(5-3-1)21-18-23-16-15(19-10-20-16)17(24-18)22-14-9-11-6-7-12(14)8-11/h1-5,10-12,14H,6-9H2,(H3,19,20,21,22,23,24)
InChIKey
SLLSODGWHDUMRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-phenyl-amino-N6-endo-norbornyladenine
CAS: 863202-33-9
CID: 53394567
Formula: C18H20N6
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass320.17494466
Monoisotopic Mass320.17494466
Topological Polar Surface Area78.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19190591-01CAY10498

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