Basic information
- CAS
51350-19-7- Standard SMILES
CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21- InChIKey
IOSAAWHGJUZBOG-MNOVXSKESA-N- Molecular formula
- C14H23N5O
- Average molar mass
- 277.37 g/mol
- Monoisotopic mass
- 277.19026037
Overview
(2R,3S)-EHNA is eHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an EC 3.5.4.4 (adenosine deaminase) inhibitor. It is a conjugate base of a (2R,3S)-EHNA(1+). It is an enantiomer of a (2S,3R)-EHNA.
Names & identifiers
- Preferred name
- (2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
- IUPAC
- (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol
- English name
- (R-(R*,S*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol
- Molecular weight
- 0
Names & synonyms
51350-19-7(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol79813-68-6erythro-9-(2-hydroxy-3-nonyl)adenine(2R,3S)-3-(6-aminopurin-9-yl)nonan-2-olCHEMBL50378(2R,3S)-EHNA(-)-erythro-9-(2-hydroxy-3-nonyl)adenine(2R,3S)-3-(adenin-9-yl)-2-nonanol(2R,3S)-9-(2-hydroxy-3-nonyl)adenineEHNA HClNSC 263164
Show more names
(R-(R*,S*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol9H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (R-(R*,S*))-
(2R,3S)-rel-3-(6-Amino-9H-purin-9-yl)nonan-2-ol(R,S)-6-amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanolEHNA.HClHWC 52eh-naTocris-1261JA58DP9LNPPYH33UX4HM
Database identifiers
- CAS
51350-19-7、79813-68-6- PubChem CID
- 149784
- DTXSID
DTXSID6043880- ChEMBL
CHEMBL50378- ChEBI
CHEBI:63058
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: (2R,3S)-EHNA is eHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It is a conjugate base of a (2R,3S)-EHNA(1+). It is an enantiomer of a (2S,3R)-EHNA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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