4-Amino-1-((2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidin-2(1H)-one
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Basic information
- CAS
869729-45-3- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N- InChIKey
QXOJXEANLQPLRK-JXOAFFINSA-N- Molecular formula
- C10H16N4O4
- Average molar mass
- 256.26 g/mol
Names & identifiers
- Preferred name
- 4-Amino-1-((2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidin-2(1H)-one
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
- English name
- 2'-Amino-2'-deoxy-5-methylcytidine
- Molecular formula
- C10H16N4O4
- Molecular weight
- 256.26
Names & synonyms
869729-45-34-Amino-1-((2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidin-2(1H)-one4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-oneorb1908745SCHEMBL1059100TNU0234FA1446492'-Amino-2'-deoxy-5-methylcytidine2’-Amino-2’-deoxy-5-methylcytidineCytidine, 2'-amino-2'-deoxy-5-methyl- (9CI)
Database identifiers
- CAS
869729-45-3
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 525.5 · 525.5±60.0 °C(Predicted)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.70(Predicted)
Chemistry & industry
Applications
Uses2’-Amino-2’-deoxy-5-methylcytidine is a purine nucleoside analogue. 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
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Compound notes
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