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82857-69-0 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-(phenylmethyl)-
CAS No: 82857-69-0 Catalog No: AG004WJT MDL No:
Product Description
Catalog Number:
AG004WJT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-(phenylmethyl)-
CAS Number:
82857-69-0
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
IUPAC Name:
5-benzyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
InChI Key:
SPJAGILXQBHHSZ-UHFFFAOYSA-N
SMILES:
OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
UNII:
0H851I3O9D
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A novel structural mechanism for redox regulation of uridine phosphorylase 2 activity. | Journal of structural biology 20111101 |
| Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy. | BMC structural biology 20090101 |
| Modulation of uridine phosphorylase gene expression by tumor necrosis factor-alpha enhances the antiproliferative activity of the capecitabine intermediate 5'-deoxy-5-fluorouridine in breast cancer cells. | Molecular pharmacology 20060401 |
| Benzylacyclouridine reverses azidothymidine-induced marrow suppression without impairment of anti-human immunodeficiency virus activity. | Blood 19901201 |
| Different effect of benzylacyclouridine on the toxic and therapeutic effects of azidothymidine in mice. | Blood 19901201 |
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