Disodium 2'-deoxyuridylate

Base Information

• Chemical Name: Disodium 2'-deoxyuridylate
• CAS No.: 42155-08-8
• Molecular Formula: C₉H₁₁N₂O₈P*2Na
• Molecular Weight: 352.148
• Hs Code.: 29349990
• European Community (EC) Number: 255-687-1
• UNII: 6AG9V4748N
• Mol file: 42155-08-8.mol

Synonyms:42155-08-8;Disodium 2'-deoxyuridylate;2'-Deoxyuridine 5'-monophosphate disodium salt;sodium ((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl phosphate;5'-Uridylic acid, 2'-deoxy-, disodium salt;6AG9V4748N;MFCD00065282;disodium;[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate;2'-Deoxyuridine-5'-monophosphate disodium salt;UNII-6AG9V4748N;EINECS 255-687-1;2'-dUMP⋅2Na;2'-dUMP?2Na;2 inverted exclamation marka-Deoxyuridine 5 inverted exclamation marka-mono-phos-phate disodium salt;DISODIUM DEOXYURIDYLATE;SCHEMBL20266308;HG1178;AKOS027320467;AC-32421;AS-74937;NS00074145;2'-Deoxyuridine -5'-monophosphatedisodium salt;A872940;2'-DEOXYURIDINE 5'-PHOSPHATE DISODIUM SALT;Q27264416;5'-URIDYLIC ACID, 2'-DEOXY-, SODIUM SALT (1:2);disodium [(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate;sodium((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methylphosphate

Chemical Property of Disodium 2'-deoxyuridylate

Chemical Property:

• PSA: 166.55000
• Density: 1.742 g/cm³
• LogP: -0.82930
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 352.00484088
• Heavy Atom Count: 22
• Complexity: 477

Purity/Quality:

98%, ^*data from raw suppliers

2′-Deoxyuridine 5′-monophosphate disodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)([O-])[O-])O.[Na+].[Na+]
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])[O-])O.[Na+].[Na+]
• Description: 2'-Deoxyuridine 5'-monophosphate disodium salt is a nucleoside analog that inhibits the synthesis of DNA and RNA by inhibiting the enzyme thymidylate synthase, which prevents the formation of dTMP from deoxyuridine 5'-triphosphate. 2'-Deoxyuridine 5'-monophosphate disodium salt has been shown to be effective in treating squamous cell cancer and hyperproliferative diseases such as chronic myelogenous leukemia. 2'-Deoxyuridine 5'-monophosphate disodium salt is also used as an antiviral agent against HIV, herpes simplex virus, and varicella zoster virus.
• Uses: 2?-Deoxyuridine 5?-monophosphate (dUMP) is used by the enzyme thymidylate synthetase (TS) (EC 2.1.1.45) for the de novo production of dTMP. dUMP is used as the reference substrate in studies of dUMP analogues in potential chemotherapy applications.