CAS No.6112-76-1,6-Mercaptopurine monohydrate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6112-76-1
Name:	6-Mercaptopurine monohydrate
Article Data:	6

Formula:	C₅H₄N₄S.H₂O
Molecular Weight:	170.195
Synonyms:	6H-Purine-6-thione,1,7-dihydro-, monohydrate (9CI);Purine-6-thiol, monohydrate (8CI);Mercaptopurine;
EINECS:	212-968-3
Melting Point:	313 °C
Boiling Point:	490.6oC at 760 mmHg
Flash Point:	250.5oC
Solubility:	insoluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn, Xi
Risk Codes:	22-36/37/38-63-20/21/22
Safety:	22-36/37/39-45-36/37
PSA:	98.68000
LogP:	0.95120

Synthetic route

: 87-42-3
6-chloro-7H-purine

: 17356-08-0
thiourea

: 6112-76-1
6-mercaptopurine

Conditions

Conditions	Yield
With formic acid In ethanol at 78 - 80℃; for 1h;	83.28%

: 71310-21-9
11-mercaptounadecanoic acid

: 6112-76-1
6-mercaptopurine

: 1228007-63-3
C16H24N4O2S2

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dimethyl sulfoxide at 20℃; for 1.33333h;	60%

: (1E,4E)-1-(4-(2-bromoethoxy)phenyl)-5-(4-methylphenyl)pent-1,4-diene-3-one

: 6112-76-1
6-mercaptopurine

: (1E,4E)-1-(4-(2-(9H-purin-6-ylthio)ethoxy)phenyl)-5-(4-methylphenyl)penta-1,4-dien-3-one

Conditions

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%

: 802294-64-0
propionic acid

: 6112-76-1
6-mercaptopurine

: 3-(7H-purin-6-ylthio)acrylic acid

Conditions

Conditions	Yield
With sodium methylate In methanol for 24h; Reflux;	54%

: 96256-46-1
p-(phenylazo)benzyl chloride

: 6112-76-1
6-mercaptopurine

: (E)-6-((4-(phenyldiazenyl)benzyl)thio)-7H-purine

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide at 20℃;	18%

: 56-24-6
trimethyltin(IV) hydroxide

: 6112-76-1
6-mercaptopurine

: Sn(4+)*3(CH3)(1-)*(C5H3N4S)(1-)=[Sn(CH3)3(C5H3N4S)]

Conditions

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.;

: 683-18-1
dibutyltin chloride

: 6112-76-1
6-mercaptopurine

: 96692-57-8
[Sn(CH2CH2CH2CH3)2(C5H3N4S)2]

Conditions

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.;

: 6112-76-1
6-mercaptopurine

: 2002-60-0
C5H4N4O2S

Conditions

Conditions	Yield
With diperiodatocuprate(III) dihydrate; potassium nitrate; potassium hydroxide at 25℃; for 4h; Kinetics; Concentration; Temperature; Inert atmosphere;

: bismuth (III) nitrate pentahydrate

: 6112-76-1
6-mercaptopurine

: C15H12BiN14O6S3(1+)*NO3(1-)

Conditions

Conditions	Yield
With nitric acid In ethanol at 85℃; for 1h; Reflux;

: 6112-76-1
6-mercaptopurine

: C47H83N5O5S2

Conditions

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

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Chemistry

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

Uses

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

Toxicity Data With Reference

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.

Safety Profile

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 SO_x and NO_x. See also MERCAPTANS.
Safety Information of 6-Mercaptopurine monohydrate (CAS NO.6112-76-1):
Hazard Codes:Xn Harmful ,Xi Irritant
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

Specification

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.