Home Other Building Blocks 5-BROMO-6-AMINOURACIL

5-BROMO-6-AMINOURACIL

CAS No.:
6312-73-8
Catalog Number:
AG00EG47
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
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Product Description
Catalog Number:
AG00EG47
Chemical Name:
5-BROMO-6-AMINOURACIL
CAS Number:
6312-73-8
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD00830386
IUPAC Name:
6-amino-5-bromo-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
InChI Key:
FSLBEEVCUZFKRL-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)[nH]c(=O)c1Br
EC Number:
228-638-7
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Fluorophosphonylated nucleoside derivatives as new series of thymidine phosphorylase multisubstrate inhibitors. Journal of medicinal chemistry 20120322
The role of phosphate in the action of thymidine phosphorylase inhibitors: Implications for the catalytic mechanism. Bioorganic & medicinal chemistry letters 20100301
Identification of aspartic acid-203 in human thymidine phosphorylase as an important residue for both catalysis and non-competitive inhibition by the small molecule 'crystallization chaperone' 5'-O-tritylinosine (KIN59). Biochemical pharmacology 20090801
Proteomics identifies thymidine phosphorylase as a key regulator of the angiogenic potential of colony-forming units and endothelial progenitor cell cultures. Circulation research 20090102
Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors. European journal of medicinal chemistry 20080601
Aminoimidazolylmethyluracil analogues as potent inhibitors of thymidine phosphorylase and their bioreductive nitroimidazolyl prodrugs. Journal of medicinal chemistry 20050127
Synthesis and enzymatic evaluation of xanthine oxidase-activated prodrugs based on inhibitors of thymidine phosphorylase. Bioorganic & medicinal chemistry letters 20041101
Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening. Bioorganic & medicinal chemistry letters 20031103
Potential tumor-selective nitroimidazolylmethyluracil prodrug derivatives: inhibitors of the angiogenic enzyme thymidine phosphorylase. Journal of medicinal chemistry 20030116
Properties