Uridine,4-thio-, 2',3',5'-tribenzoate (6CI,7CI,8CI,9CI)
Basic information
- CAS
15049-50-0- Standard SMILES
O=C(OCC1OC(n2ccc(=S)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
AQFHLKSRFLNEMU-UHFFFAOYSA-N- Molecular formula
- C30H24N2O8S
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.1253369
Names & identifiers
- Preferred name
- Uridine,4-thio-, 2',3',5'-tribenzoate (6CI,7CI,8CI,9CI)
- IUPAC
- [3,4-dibenzoyloxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate
- English name
- Uridine,4-thio-, 2',3',5'-tribenzoate (6CI,7CI,8CI,9CI)
- Molecular formula
- C30H24N2O8S
- Molecular weight
- 572.59
Names & synonyms
NSC10285915049-50-0DTXSID20393840Uridine,4-thio-, 2',3',5'-tribenzoate (6CI,7CI,8CI,9CI)NSC-102859DA-589084-Sulfanylidene-1-(2,3,5-tri-O-benzoylpentofuranosyl)-3,4-dihydropyrimidin-2(1H)-one2’,3’,5’-Tri-O-benzoyl-4-thiouridine2’,3’-Bis-O-(t-butyldimethylsilyl)-N1-methylpseudouridin
Database identifiers
- CAS
15049-50-0- PubChem CID
- 3580211
- DTXSID
DTXSID20393840
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Melting point
- 127 · 127-129.5 °C
- Density
- 1.458 · 1.458±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.656 · 4.656±0.20(predicted)
Chemistry & industry
Applications
Uses2’,3’,5’-Tri-O-benzoyl-4-thiouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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