General Information of the Compound
| Compound ID |
CP0058409
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
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| Synonyms |
(-)-(Phenylisopropyl)adenosine
(-)-N-(alpha-Methylphenethyl)adensoine
(-)-PIA
(R)-(Phenylisopropyl)adenosine
(R)-N-(1-Methyl-2-phenylethyl)adenosine
(R)-N6-(2-Phenylisopropyl)adenosine
(R)-N6-Phenylisopropyladenosine
(R)-PIA
38594-96-6
BRN 4912716
EINECS 254-028-5
L-2-N6-(Phenylisopropyl)adenosine
L-PIA
N6-(R)-Phenylisopropyladenosine
N6-D-Phenylisopropyladenosine
Phenylisopropyladenosine, L-
R-N6-(phenylisopropyl)adenosine
TH 162
l-N(sup 6)-Phenylisopropyladenosine
l-Phenylisopropyladenosine
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| Structure |
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| Formula |
C19H23N5O4
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| Molecular Weight |
385.424
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| Canonical SMILES |
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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| InChIKey |
RIRGCFBBHQEQQH-SSFGXONLSA-N
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| CAS |
29-36-7
31747-27-0
38594-96-6
129601-64-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound