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
Quality Level
assay
98%
form
powder
mp
>300 °C (lit.)
SMILES string
O.Sc1ncnc2[nH]cnc12
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
InChI key
WFFQYWAAEWLHJC-UHFFFAOYSA-N
Gene Information
human ... PPAT(5471)
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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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)
M J Casanova et al.
The American journal of gastroenterology, 108(3), 433-440 (2013-01-16)
The safety of thiopurines and anti-tumor necrosis factor-α (TNF-α) drugs during pregnancy remains controversial, as the experience with these drugs in this situation is limited. Our aim is to assess the safety of thiopurines and anti-TNF-α drugs for the treatment
Goran Marinkovic et al.
Arteriosclerosis, thrombosis, and vascular biology, 33(10), 2380-2388 (2013-08-21)
In aortic aneurysms the arterial vessel wall is dilated because of destruction of its integrity, which may lead to lethal vessel rupture. Chronic infiltration of inflammatory cells into the vessel wall is fundamental to aneurysm pathology. We aim to limit