Basic information
- CAS
342419-10-7- Standard SMILES
CCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
OBAAIGREYDUOHX-ZGOQAQPGSA-N- Molecular formula
- C17H24N6O6
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.17573251
Names & identifiers
- Preferred name
- Cvt-2759
- IUPAC
- [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolan-2-yl]methyl N-ethylcarbamate
- English name
- CVT-2759
- Molecular formula
- C17H24N6O6
- Molecular weight
- 408.41
Names & synonyms
CVT-2759342419-10-7Adenosine, N-((3R)-tetrahydro-3-furanyl)-, 5'-(ethylcarbamate)42E8N8RC9ZCVT2759CVT 2759Adenosine, N-((3R)-tetrahydro-3-furanyl)-, 5'-(N-ethylcarbamate)(((5-(6-(oxolan-3-yl)amino)purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)-n-methylcarboxamideRefChem:200283UNII-42E8N8RC9Z[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolan-2-yl]methyl N-ethylcarbamateorb1697642
Show more names
Adenosine, N-[(3R)-tetrahydro-3-furanyl]-, 5'-(N-ethylcarbamate)
SCHEMBL29389633AKOS040751336T31119Q27258534((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(((R)-tetrahydrofuran-3-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl ethylcarbamate
Database identifiers
- CAS
342419-10-7- PubChem CID
- 9801554
- UNII
- 42E8N8RC9Z
- Nikkaji
- J2.044.364B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 12.7 · 12.70±0.46(Predicted)
- FDA UNII
- 42 E8N8RC9Z · 42E8N8RC9Z
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that bind to and stimulate PURINERGIC P1 RECEPTORS.
Applications
UsesCVT-2759 analog (compound 15) is a partial agonist of A1 adenosine receptor (Ki=167 nM) and can be used for the study of cardiac arrhythmias[1].
Suppliers4 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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