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2'-MeCCPA

CAT: 0607-B7000-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7000-10Size:10 mg
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Description
A1 adenosine receptor agonist
CAS Number
205171-12-6
Product Name Alternative
(2R,3S,4S,5S)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol
Field of Research
GPCR G protein Adenosine Receptor
Purity
0.98
Form
White solid
Solubility
<9.6mg/ml in DMSO
Smiles
ClC(N=C12)=NC(NC3CCCC3)=C2N=CN1[C@@H]([C@@]4(C)O)O[C@@H](CO)[C@@H]4O
Molecular Formula
C16H22ClN5O4
Molecular Weight
383.83
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2'-Me-CCPA
CAS Number205171-12-6
PubChem CID10475082
IUPAC Name(2R,3R,4R,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular FormulaC16H22ClN5O4
Molecular Weight383.8
XLogP1.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity513
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)CO)O)O
InChI
InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1
InChIKey
MMPAUXMIDJWGFO-ROMFRFKVSA-N
Chemical Structure
2D Structure
2D structure of 2'-Me-CCPA
CAS: 205171-12-6
CID: 10475082
Formula: C16H22ClN5O4
MW: 383.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.8
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass383.1360319
Monoisotopic Mass383.1360319
Topological Polar Surface Area126 Ų
Heavy Atom Count26
Formal Charge0
Complexity513
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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