6-Hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile - CAS 35441-10-2
Catalog: |
BB022637 |
Product Name: |
6-Hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile |
CAS: |
35441-10-2 |
Synonyms: |
2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile; 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile |
IUPAC Name: | 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile |
Description: | A metabolite of 1-Ethoxymethyl-5-fluorouracil (EM-FU), a fluorinated pyrimidine derived from 5-FU. |
Molecular Weight: | 136.11 |
Molecular Formula: | C6H4N2O2 |
Canonical SMILES: | C1=CC(=O)NC(=C1C#N)O |
InChI: | InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10) |
InChI Key: | BFHKYHMCIAMQIN-UHFFFAOYSA-N |
Boiling Point: | 330.8 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
LogP: | -0.04782 |
Publication Number | Title | Priority Date |
WO-2019229115-A1 | Methods and pharmaceutical compositions for treating cancer | 20180530 |
AU-2019276092-A1 | Methods and pharmaceutical compositions for treating cancer | 20180530 |
EP-3801513-A1 | Methods and pharmaceutical compositions for treating cancer | 20180530 |
JP-2021526161-A | Methods and pharmaceutical compositions for the treatment of cancer | 20180530 |
US-2021213020-A1 | Methods and pharmaceutical compositions for treating cancer | 20180530 |
PMID | Publication Date | Title | Journal |
7917366 | 19940101 | Efficacy of a new 5-fluorouracil derivative, BOF-A2, in advanced non-small cell lung cancer. A multi-center phase II study | Acta oncologica (Stockholm, Sweden) |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.027277375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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