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AB-MECA

CAT: 1410-M12144-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12144-02Size:5 mg
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Description
A high affinity A3 adenosine receptor agonist.
CAS Number
152918-26-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
399.4038
Molecular Formula
C18H21N7O4
Notes
Research use only, not for human use.
Receptor
Adenosine Receptor

Chemical Information

5-(6-((4-Aminophenyl)methylamino)purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CAS Number152918-26-8
PubChem CID5310992
IUPAC Name(2S,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular FormulaC18H21N7O4
Molecular Weight399.4
XLogP-0.4
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity576
SMILES
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O
InChI
InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChIKey
LDYMCRRFCMRFKB-MOROJQBDSA-N
Chemical Structure
2D Structure
2D structure of 5-(6-((4-Aminophenyl)methylamino)purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CAS: 152918-26-8
CID: 5310992
Formula: C18H21N7O4
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass399.16550218
Monoisotopic Mass399.16550218
Topological Polar Surface Area160 Ų
Heavy Atom Count29
Formal Charge0
Complexity576
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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