Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Mercaptopurine monohydrate |
EINECS | 212-968-3 |
CAS No. | 6112-76-1 | Density | N/A |
PSA | 98.68000 | LogP | 0.95120 |
Solubility | insoluble in water | Melting Point |
313 °C |
Formula | C5H4N4S.H2O | Boiling Point | 490.6oC at 760 mmHg |
Molecular Weight | 170.195 | Flash Point | 250.5oC |
Transport Information | N/A | Appearance | white to light yellow crystal powder |
Safety | 22-36/37/39-45-36/37 | Risk Codes | 22-36/37/38-63-20/21/22 |
Molecular Structure | Hazard Symbols | Xn, Xi | |
Synonyms |
6H-Purine-6-thione,1,7-dihydro-, monohydrate (9CI);Purine-6-thiol, monohydrate (8CI);Mercaptopurine; |
Article Data | 6 |
Conditions | Yield |
---|---|
With formic acid In ethanol at 78 - 80℃; for 1h; | 83.28% |
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dimethyl sulfoxide at 20℃; for 1.33333h; | 60% |
6-mercaptopurine
Conditions | Yield |
---|---|
Stage #1: 6-mercaptopurine With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: (1E,4E)-1-(4-(2-bromoethoxy)phenyl)-5-(4-methylphenyl)pent-1,4-diene-3-one In N,N-dimethyl-formamide at 40℃; for 2.5h; | 54.5% |
Conditions | Yield |
---|---|
With sodium methylate In methanol for 24h; Reflux; | 54% |
p-(phenylazo)benzyl chloride
6-mercaptopurine
Conditions | Yield |
---|---|
With sodium hydroxide In N,N-dimethyl-formamide at 20℃; | 18% |
Conditions | Yield |
---|---|
In acetone Sn compd. and org. compd. refluxed in acetone for 1 h; distn. of solvent, filtration, washing with acetone, drying in vac.; elem. anal.; |
Conditions | Yield |
---|---|
With sodium methoxide In methanol org. compd. heated at 150°C for 24 h, deprotonated with equimolar amount of CH3ONa in MeOH, resulting soln. added to soln. of Sn compd. in MeOH, reaction mixture refluxed with stirring for 4 h; evapn., filtration, addn. of soln. to Et2O, filtration, keeping of soln. at -10°C for 1 week, filtraition, washing, drying in vac.; elem. anal.; |
Conditions | Yield |
---|---|
With diperiodatocuprate(III) dihydrate; potassium nitrate; potassium hydroxide at 25℃; for 4h; Kinetics; Concentration; Temperature; Inert atmosphere; |
Conditions | Yield |
---|---|
With nitric acid In ethanol at 85℃; for 1h; Reflux; |
6-mercaptopurine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2,3-dicyano-5,6-dichloro-p-benzoquinone / dimethyl sulfoxide / 1.33 h / 20 °C 2: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine / dichloromethane; N,N-dimethyl-formamide / 20 h / 20 °C View Scheme |
Detail of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Molecular Structure:
IUPAC Name: 3,7-dihydropurine-6-thione hydrate
CAS Number: 6112-76-1
Molecular Formula: C5H4N4S.H2O
Molecular Weight: 170.21
EINECS: 212-968-3
Melting Point: 313 °C
Solubility: negligible
Storage temp: Store at 0-5 °C
Water Solubility: INSOLUBLE
BRN: 4012091
Synonyms of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1): 1,7-Dihydro-6h-purin-6-thion,monohydrat ; 1,7-Dihydro-6h-purine-6-thionemonohydrate ; 1,7-Dihydro-6h-purine-6-thionmonohydrate ; 6h-Purin-6-thion,monohydrat ; 6-Merkaptopurin,monohydrat ; Purin-6-thiol,monohydrat
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines; Purine; Heterocyclic Compounds; Antitumors for Research and Experimental Use; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Nucleic acids; Bases & Related Reagents; Heterocycles; Nucleotides; Sulfur & Selenium Compounds
6-Mercaptopurine monohydrate (CAS NO.6112-76-1) can be used as an immunosuppressive drug used to treat leukemia. It is also used for pediatric non-Hodgkin lymphoma, polycythemia vera, and psoriatic arthritis
1. | dlt-mus-ipr 500 mg/kg/40D-I | DCTODJ Drug and Chemical Toxicology. 6 (1983),83. | ||
2. | orl-mus LD50:1250 mg/kg | MUREAV Mutation Research. 223 (1989),349. | ||
3. | ipr-mus LD50:224 mg/kg | MUREAV Mutation Research. 223 (1989),349. |
An experimental teratogen. A poison by intraperitoneal route. Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. See also MERCAPTANS.
Safety Information of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Hazard Codes:Xn,Xi
Risk Statements:22-36/37/38-63-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R63:Possible risk of harm to the unborn child.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:22-36/37/39-45-36/37
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
WGK Germany:3
RTECS:UP0400000
HS Code:29335995
Stability and Reactivity of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials, strong oxidants.
Incompatibilities with Other Materials Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products Irritating and toxic fumes and gases.
Hazardous Polymerization Has not been reported.
Handling and Storage of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
First Aid Measures of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation: Remove from exposure and move to fresh air immediately.