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3715-64-8

3715-64-8 Structure

3715-64-8 Structure
IdentificationBack Directory
[Name]

1-(5-O-Phosphono-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
[CAS]

3715-64-8
[Synonyms]

D4-TMP
D4T-MP
5'-Thymidylic acid, 3'-deoxy-
3'-Deoxy-2',3'-didehydro-5'-thymidylic acid
3'-Deoxy-2',3'-didehydrothymidine 5'-phosphoric acid
2',3'-Didehydro-3'-deoxythymidine 5'-phosphoric acid
(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
1-(5-O-Phosphono-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-iodooxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
[Molecular Formula]

C10H15N2O7P
[MOL File]

3715-64-8.mol
[Molecular Weight]

306.21
Chemical PropertiesBack Directory
[density ]

1.547±0.06 g/cm3(Predicted)
[pka]

1.86±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

3`-Deoxy-5`-thymidylic Acid has been shown to complex with human thymidylate kinase via hydrogen bonding between Arg97 residues and phosphate groups. This interaction leads to the closed P-loop conformation in human thymidylate kinase, which promotes phosphorylation of nucleotides and has the potential as a model for novel compounds as a result of structure-based design studies.
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