Home Other Building Blocks 6-Thioxo-6,9-dihydro-1h-purin-2(3h)-one

6-Thioxo-6,9-dihydro-1h-purin-2(3h)-one

CAS No.:
2002-59-7
Catalog Number:
AG002CM1
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$166
- +
Product Description
Catalog Number:
AG002CM1
Chemical Name:
6-Thioxo-6,9-dihydro-1h-purin-2(3h)-one
CAS Number:
2002-59-7
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
MDL Number:
MFCD00143509
IUPAC Name:
6-sulfanylidene-3,7-dihydropurin-2-one
InChI:
InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChI Key:
RJOXFJDOUQJOMQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)c2c([nH]1)[nH]cn2
UNII:
2HLR5DQG0J
NSC Number:
12160
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.174g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
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Nature and position of functional group on thiopurine substrates influence activity of xanthine oxidase--enzymatic reaction pathways of 6-mercaptopurine and 2-mercaptopurine are different. Biochemistry. Biokhimiia 20070201
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Lead compounds for antimalarial chemotherapy: purine base analogs discriminate between human and P. falciparum 6-oxopurine phosphoribosyltransferases. Journal of medicinal chemistry 20061214
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Inhibition of MHC class I is a virulence factor in herpes simplex virus infection of mice. PLoS pathogens 20050901
Determination of mercaptopurine and its four metabolites by large-volume sample stacking with polarity switching in capillary electrophoresis. Electrophoresis 20050601
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Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. Biochemical pharmacology 19951109
Properties