Basic information
- CAS
154771-33-2- Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
RAIBEZUVTIPFOJ-SHERYBNQSA-N- Molecular formula
- C37H34FN3O7
- Average molar mass
- 651.7 g/mol
- Monoisotopic mass
- 651.23807865
Names & identifiers
- Preferred name
- N-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
- IUPAC
- N-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
- English name
- N-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]benzamide
- Molecular formula
- C37H34FN3O7
- Molecular weight
- 651.68
Names & synonyms
154771-33-2DMT-2'-F-Bz-dCN-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamideN-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamideN-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]benzamideN-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2C37H34FN3O7RAIBEZUVTIPFOJ-SHERYBNQSA-NMFCD23135324orb1907829DTXSID60743380TNU1175
Show more names
5'-DMT-2'-F-Bz-dC5'-O-DMT-N4-Bz-2'-F-ara-2'-dC5-O-DMT-N4-benzoyl-2'-Fluoro-β-D-arabinofuranosyl-1-[2-FLUORO-2-DEOXY-5-O-DMTr-Β-D- ARABINOFURANOSYL]-N4-BENZOYL-CYTOSINEN4-Benzoyl-5’-O-(4,4’-dimethoxytrityl)-2’-deoxy-2’-fluoro-β-Darabinocytidine
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Density
- 1.3 · 1.30
- storage temp.
- 2 · 2-8°C
- pka
- 8.52 · 8.52±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesDMT-2'-F-Bz-dC is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
Suppliers38 total
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Related reactions
2 records
Compound notes
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