200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 15986-31-9
15986-31-9 | 1H-Purine-6,8-dione, 2,3,7,9-tetrahydro-2-thioxo-
CAS No: 15986-31-9 Catalog No: AG001RH8 MDL No:
Product Description
Catalog Number:
AG001RH8
Chemical Name:
1H-Purine-6,8-dione, 2,3,7,9-tetrahydro-2-thioxo-
CAS Number:
15986-31-9
Molecular Formula:
C5H4N4O2S
Molecular Weight:
184.1759
IUPAC Name:
2-sulfanylidene-7,9-dihydro-3H-purine-6,8-dione
InChI:
InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key:
JDAXHCJXSLHZAG-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)[nH]c(=S)[nH]c2=O
EC Number:
240-119-7
UNII:
37W3JKB4JA
NSC Number:
22716
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.173g/mol
Monoisotopic Mass:
184.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Development and validation of an HPLC method for the rapid and simultaneous determination of 6-mercaptopurine and four of its metabolites in plasma and red blood cells. | Journal of pharmaceutical and biomedical analysis 20090220 |
| 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 |
| Distinct tissue distribution of metabolites of the novel glutathione-activated thiopurine prodrugs cis-6-(2-acetylvinylthio)purine and trans-6-(2-acetylvinylthio)guanine and 6-thioguanine in the mouse. | Drug metabolism and disposition: the biological fate of chemicals 20030601 |
| The glutathione-activated thiopurine prodrugs trans-6-(2-acetylvinylthio)guanine and cis-6-(2-acetylvinylthio)purine cause less in vivo toxicity than 6-thioguanine after single- and multiple-dose regimens. | Molecular cancer therapeutics 20021101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.