2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)-
Basic information
- CAS
136020-18-3- Standard SMILES
Nc1ccn([C@H]2CC[C@H](O)[C@@H](CO)O2)c(=O)n1- InChIKey
GOUMWHNAXBKGRV-LKEWCRSYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)-
- IUPAC
- 4-amino-1-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-β-D-erythro-hexopyranosyl)- (9CI)
- Molecular formula
- C10
- Molecular weight
- 241.25
Names & synonyms
136020-18-32',3'-Dideoxy-hexopyranosyl cytidine2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)-1-(2',3'-Dideoxy-beta-D-glucopyranosyl)cytosineDTXSID50159633RefChem:241328DTXCID3082124orb1908396SCHEMBL26781906TNU05974-amino-1-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one1-(2',3'-Dideoxy-.beta.-D-glucopyranosyl)cytosine
Show more names
1-(2,3-Dideoxy-?-D-erythro-hexo pyranosyl)cytosine1-(2,3-Dideoxy-β-D-erythro-hexo pyranosyl)cytosine1-(2,3-Dideoxy-b-D-erythro-hexo pyranosyl)cytosine2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-β-D-erythro-hexopyranosyl)- (9CI)4-amino-1-((2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one
1-(2,3-Dideoxy-b-D-erythro-hexopyranosyl)cytosine4-Amino-1-(2,3-dideoxy-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one4-amino-1-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-2-one
Database identifiers
- CAS
136020-18-3- PubChem CID
- 453161
- DTXSID
DTXSID50159633- Nikkaji
- J888.088C
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 491.8 · 491.8±55.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.60(Predicted)
Chemistry & industry
Applications
Uses1-(2,3-Dideoxy-β-D-erythro-hexo pyranosyl)cytosine 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
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Compound notes
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