5-fluoro-1-[(2R)-oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 72617
• Molecular Formular: C8H9FN2O3
• Molecular Mass: 200.1670632
• Monoisotopic Mass: 200.05972038
• SMILES: [nH]1c(=O)n(cc(c1=O)F)[C@@H]1OCCC1
• Canonical SMILES: O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1
• InChI: InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1
• InChIKey: WFWLQNSHRPWKFK-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-[(2R)-oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: tegafur
• Synonyms: Ftorafur

Database IDs

• CAS Number: 17902-23-7
• PubChem SID: 162037542
• PubChem CID: 288216

CALCULATED PROPERTIES

• Acid pKa: 7.678831
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.020991746
• LogD (pH = 7.4): -0.1571928
• Log P: 0.023826538
• Molar Refractivity: 44.5014 cm^3
• Polarizability: 16.845354 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO

Safety Information

• Storage Condition: -20°C

Pharmacology Properties

• Target: Antimetabolites

Product Information

• Salt Data: Free Base

DETAILS

Selleck Chemicals - S1300

Research Area: Cancer
Biological Activity:
Ftorafur is a substance being used in the treatment of some types of cancer. It is a combination of tegafur and uracil. The tegafur is taken up by the cancer cells and breaks down into 5-FU, a substance that kills tumor cells. The uracil causes higher amounts of 5-FU to stay inside the cells and kill them. Ftorafur is a type of antimetabolite. [1]References on Ftorafur[1] http://www.cancer.gov/dictionary/?CdrID=549432, ,

REFERENCES

• http://www.cancer.gov/dictionary/?CdrID=549432