(R)-Pia
Basic information
- CAS
38594-96-6- Standard SMILES
C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
RIRGCFBBHQEQQH-SSFGXONLSA-N- Molecular formula
- C19H23N5O4
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.17500423
Overview
(-)-n6-(2-phenylisopropyl)adenosine is a purine nucleoside.
Names & identifiers
- Preferred name
- (R)-Pia
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
- English name
- (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE
- Molecular formula
- C19H23N5O4
- Molecular weight
- 385.42
Names & synonyms
(R)-PIA(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(((2R)-1-phenylpropan-2-yl)amino)purin-9-yl)oxolane-3,4-diol(2R,3S,4R,5R)-2-(HYDROXYMETHYL)-5-(6-{[(2R)-1-PHENYLPROPAN-2-YL]AMINO}PURIN-9-YL)OXOLANE-3,4-DIOLRefChem:105110538594-96-6L-PIA(-)-(Phenylisopropyl)adenosine(-)-PIA(-)-N6-(2-PHENYLISOPROPYL)-ADENOSINEN6-D-Phenylisopropyladenosine(-)-N6-(2-Phenylisopropyl)adenosine
Show more names
th162[R]-PIA(r)-adenosinTH 162,TH162R-Phenylisopropyladenosinel-phenylisopropyladenosineL-2-N6-(Phenylisopropyl)adenosineN6-[L-2-PHENYL-ISOPROPYL]ADENOSINE
(R)-(Phenylisopropyl)adenosine(R)-N6-PhenylisopropyladenosineN6-(R)-Phenylisopropyladenosine(R)-N-(1-Methyl-2-phenylethyl)adenosineTH-162(R)-N6-(2-Phenylisopropyl)adenosineR-N6-(phenylisopropyl)adenosineAdenosine, N-(1-methyl-2-phenylethyl)-, (R)-
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Experimental & physicochemical properties
Solubility>57.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 715.9 · 715.9±70.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 0.3 mg/mL Solutions may be stored for several days at 4°C., slightly soluble
- form
- solid
- pka
- 13.12 · 13.12±0.70(Predicted)
- color
- white
- Water Solubility
- 2 O: · H2O: slightly soluble 0.3mg/mL (Solutions may be stored for several days at 4°C.)45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 1.6mg/mL (Solutions may be stored for several days at 4°C.)
- InChIKey
- RIRGCFBBHQEQQH-SSFGXONLSA-N
- SMILES
- C[C@H](Cc1ccccc1)Nc2ncnc3n(cnc23)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- AU7404930
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(-)-N6-(2-Phenylisopropyl)adenosine is an A1 adenosine receptor agonist.
Additional notes
DefinitionChEBI: (-)-n6-(2-phenylisopropyl)adenosine is a purine nucleoside.
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Compound notes
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