Trabodenoson
Basic information
- CAS
871108-05-3- Standard SMILES
O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
AQLVRTWKJDTWQQ-SDBHATRESA-N- Molecular formula
- C15H20N6O6
- Average molar mass
- 380.36 g/mol
- Monoisotopic mass
- 380.14443238
Overview
Trabodenoson has been used in trials studying the treatment of Ocular Hypertension (OHT) and Primary Open-Angle Glaucoma (POAG).
Names & identifiers
- Preferred name
- Trabodenoson
- IUPAC
- [(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
- English name
- trabodenoson
- Molecular formula
- C15H20N6O6
- Molecular weight
- 380.36
Names & synonyms
Trabodenoson871108-05-3INNO-8875N-Cyclopentyladenosine 5'-nitrateN6-Cyclopentyladenosine 5'-nitrate1T237110W4PJ-875DTXSID90236139trabodenosonumRefChem:933236DTXCID40158630((2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl nitrate
Show more names
Trabodenoson, 10 mM in DMSOAdenosine, N-cyclopentyl-, 5'-nitrate
Trabodenoson [USAN:INN]INNO 8875UNII-1T237110W4MFCD28502082PJ 875((2r,3s,4r,5r)-5-(6-(cyclopentylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl nitrateINO-8875[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
Database identifiers
- CAS
871108-05-3- PubChem CID
- 11610599
- DTXSID
DTXSID90236139- ChEMBL
CHEMBL3545407- UNII
- 1T237110W4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 691.2 · 691.2±65.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO: soluble
- form
- A crystalline solid
- pka
- 12.99 · 12.99±0.70(Predicted)
- color
- White to yellow
- FDA UNII
- 1 T237110W4 · 1T237110W4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesTrabodenoson alters ECM turnover by TM cells and increases conventional outflow facility, which accounts for its ability to lower IOP in young and aged mice.
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Compound notes
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