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.
Signal Word
Danger
Hazard Codes
Precautionary Statements
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 (personal protective equipment)
dust mask type N95 (US), Eyeshields, Gloves
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