852678
6-Mercaptopurine monohydrate
98%
Synonym(s):
6-Purinethiol, 6-Thiohypoxanthine
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About This Item
Empirical Formula (Hill Notation):
C5H4N4S · H2O
CAS Number:
Molecular Weight:
170.19
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
200-037-4
Beilstein/REAXYS Number:
4012091
MDL number:
Assay:
98%
Form:
powder
InChI key
WFFQYWAAEWLHJC-UHFFFAOYSA-N
InChI
1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2
SMILES string
O.Sc1ncnc2[nH]cnc12
assay
98%
form
powder
mp
>300 °C (lit.)
Quality Level
Gene Information
human ... PPAT(5471)
Related Categories
General description
6-Mercaptopurine monohydrate is an antimetabolite and antineoplastic drug. Its cocrystallization with 4-hydroxybenzoic acid and 2,4-dihydroxybenzoic acid or salt formation with piperazine may improve its aqueous solubility.
Application
6-Mercaptopurine is a widely used antileukemic agent that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Muta. 2 - Repr. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Unit-cell dimensions and space group of 6-mercaptopurine monohydrate.
Hoogsteen K.
Nature, 178(4529), 379-379 (1956)
Comparative structural and spectrum analyses of 6-mercaptopurine monohydrate and 6-mercaptopurine hydrochloride
Perez-Ruiz E, et al.
Canadian Journal of Analytical Sciences and Spectroscopy, 43(3), 59-67 (1998)
Improving the solubility of 6-Mercaptopurine via cocrystals and salts
Xu LL, et al.
Crystal Growth & Design, 12(12), 6004-6011 (2012)
The crystal and molecular structure of 6-mercaptopurine monohydrate.
Sletten E, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 25(7), 1330-1338 (1969)
Goran Marinković et al.
Journal of immunology (Baltimore, Md. : 1950), 192(9), 4370-4378 (2014-03-29)
Azathioprine and its metabolite 6-mercaptopurine (6-MP) are well established immunosuppressive drugs. Common understanding of their immunosuppressive properties is largely limited to immune cells. However, in this study, the mechanism underlying the protective role of 6-MP in endothelial cell activation is
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