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1468-26-4 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
CAS No: 1468-26-4 Catalog No: AG001ECX MDL No:MFCD01150935
Product Description
Catalog Number:
AG001ECX
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
CAS Number:
1468-26-4
Molecular Formula:
C4H3N5O2
Molecular Weight:
153.0989
MDL Number:
MFCD01150935
IUPAC Name:
2,4-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChI Key:
KVGVQTOQSNJTJI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)[nH]nn2
EC Number:
215-992-2
UNII:
97MRZ3ZY2U
NSC Number:
756
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
153.101g/mol
Monoisotopic Mass:
153.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
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|---|---|
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| High pressure macromolecular crystallography: the 140-MPa crystal structure at 2.3 A resolution of urate oxidase, a 135-kDa tetrameric assembly. | Biochimica et biophysica acta 20060301 |
| A preliminary neutron diffraction study of rasburicase, a recombinant urate oxidase enzyme, complexed with 8-azaxanthin. | Acta crystallographica. Section F, Structural biology and crystallization communications 20060301 |
| Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. | Acta crystallographica. Section D, Biological crystallography 20050301 |
| Cloning and functional characterization of two bacterial members of the NAT/NCS2 family in Escherichia coli. | Molecular membrane biology 20050101 |
| Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode. | Acta crystallographica. Section D, Biological crystallography 20040301 |
| A colorimetric 96-well microtiter plate assay for the determination of urate oxidase activity and its kinetic parameters. | Analytical biochemistry 20021015 |
| Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. | Biochemical pharmacology 19951109 |
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