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 Segment
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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