852678

6-Mercaptopurine monohydrate

98%

• Synonym(s): 6-Purinethiol, 6-Thiohypoxanthine
• Empirical Formula (Hill Notation): C₅H₄N₄S · H₂O
• CAS Number: 6112-76-1
• Molecular Weight: 170.19
• Beilstein/REAXYS Number: 4012091
• EC Number: 200-037-4
• MDL number: MFCD03854445
• UNSPSC Code: 12352005
• PubChem Substance ID: 24888330
• NACRES: NA.22

Properties

• 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)

Description

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.

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H301,H341,H361fd
• pcodes: P202 - P264 - P280 - P301 + P310 - P405 - P501
• 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_germany: WGK 3
• ppe: dust mask type N95 (US), Eyeshields, Gloves