6-Mercaptopurine supplier

Name
6-Mercaptopurine
EINECS 200-037-4
CAS No. 50-44-2
Article Data21
CAS DataBase
Density 1.82 g/cm³
Solubility 124mg/L(25 oC)
Melting Point 241-244 °C
Formula C₅H₄N₄S
Boiling Point 471.018 °C at 760 mmHg
Molecular Weight 152.18
Flash Point 238.663 °C
Transport Information
Appearance yellowish-greenish solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Mercaptopurinum;6-Mercaptopurine, >99%;NSC-755;Mercaleukin;Purine-6-thiol, monohydrate;6-mercapto-;9H-Purin-6-yl hydrosulfide;6-Thioxopurine;U-4748;Puri-Nethol;1,7-Dihydro-6H-purine-6-thione;6-Thiopurine;6H-Purine-6-thione, 1,7-dihydro-;7-Mercapto-1,3,4,6-tetrazaindene;Hypoxanthine, thio-;6-Purinethiol;Mercaleukim;7H-purine-6-thiol;
PSA 89.45000
LogP 1.01550

Synthetic route

: 2562-52-9
2,6,8-trichloro-7H-purine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With potassium hydrosulfide und Erwaermen des Reaktionsprodukts mit einem Gemisch von Jod, konz.HI und rotem Phosphor;

: 2846-90-4
[1,3]thiazolo[5,4-d]pyrimidin-7-amine

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
at 190℃;
at 190℃;

: 64194-58-7
6-amino-5-formylamino-3H-pyrimidin-4-one

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With pyridine; tetraphosphorus decasulfide
With tetraphosphorus decasulfide; tetralin

: 500542-05-2
N-(4-amino-6-thioxo-1,6-dihydro-pyrimidin-5-yl)-formamide

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With formamide at 200℃;

: 20271-18-5
5-Aminoimidazole-4-thioamide

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
at 200℃;

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

: 17356-08-0
thiourea

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With ethanol

: 68-94-0
1,7-dihydro-6H-purin-6-one

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With tetraphosphorus decasulfide; tetralin
With pyridine; tetraphosphorus decasulfide
Multi-step reaction with 2 steps 1: N,N-dimethyl-aniline; POCl3 2: ethanol View Scheme

: 126616-94-2
S6-(N-methyl-N-methoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; Mechanism; pH 7.1;

: 126646-36-4
S6-(N-methyl-N-ethoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; pH 7.1;

: 126616-96-4
S6-(N-ethyl-N-methoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; pH 7.1;

: 126585-34-0
S6-(N-ethyl-N-ethoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; pH 7.1;

: 126585-38-4
S6-(N-butyl-N-methoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; pH 7.1;

: 126585-33-9
S6-(N-methyl-N-butoxycarbonyl)aminomethyl-6-mercaptopurine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
With phosphate buffer; water at 32℃; Rate constant; pH 7.1;

: 108-24-7
acetic anhydride

: 119056-59-6
7-(dimethylamino)methyl-6-mercaptopurine

A: 50-44-2
6H-purine-6-thione

B: 119346-80-4
7-acetyloxymethyl-6-mercaptopurine

C: 114208-88-7
9-acetyloxymethyl-6-mercaptopurine

D: 111621-56-8
S6,3-bisacetyloxymethyl-6-mercaptopurine

Conditions

Conditions	Yield
With sodium acetate In dimethylsulfoxide-d6 for 20h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 19447-73-5
6-thiocyanato-7(9)H-purine

: 56-23-5
tetrachloromethane

: 7732-18-5
water

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
at 25℃; Kinetics;

...Expand

sodium-salt of 6-amino-5-formylamino-3H-pyrimidine-4-thione: sodium-salt of 6-amino-5-formylamino-3H-pyrimidine-4-thione

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
at 240℃;

: 13548-68-0
8-chloroxanthine

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N,N-dimethyl-aniline; POCl3 2: aqueous KHS / und Erwaermen des Reaktionsprodukts mit einem Gemisch von Jod, konz.HI und rotem Phosphor View Scheme

: 91560-22-4
N-(4-amino-6-benzylsulfanyl-pyrimidin-5-yl)-formamide

: 50-44-2
6H-purine-6-thione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium; liquid NH3 2: formamide / 200 °C View Scheme

: Ru(2,2'-biquinoline)dichlorid

: 50-44-2
6H-purine-6-thione

: [Ru(2,2-biquinoline)2(6-mercaptopurine)]Cl

Conditions

Conditions	Yield
With triethylamine In ethanol for 24h; Reflux; Inert atmosphere; Schlenk technique; Darkness;	89%

: 5162-44-7
1-bromo-4-butene

: 50-44-2
6H-purine-6-thione

: 6-(but-3-enyl)sulfanylpurine

Conditions

Conditions	Yield
With potassium hydroxide In water; N,N-dimethyl-formamide for 2h;	87%

: 50-44-2
6H-purine-6-thione

: ammonium hexafluorophosphate

: C24H24Cl2N4Ru

: [Ru(6,6-dimethylbipyridine)2(6-mercaptopurine)]hexafluorophosphate

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione; C24H24Cl2N4Ru With triethylamine In ethanol for 24h; Reflux; Inert atmosphere; Schlenk technique; Darkness; Stage #2: ammonium hexafluorophosphate In ethanol; water Inert atmosphere; Schlenk technique; Darkness;	83%

...Expand

: 50-44-2
6H-purine-6-thione

: 76098-31-2
N-(4-Nitrobenzoyl)-1-pyrrolidinecarbimidoyl Chloride

: N-<(6,7-dihydro-6-thioxo-1H-purin-7-yl)(pyrrolidin-1-yl)methyliden>-4-nitrobenzamid

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 80℃; for 1.5h;	72%

: 83-87-4, 604-68-2, 604-69-3, 2152-77-4, 4026-35-1, 4163-59-1, 4163-60-4, 4163-61-5, 4163-65-9, 4257-94-7, 4257-96-9, 16299-15-3, 19186-39-1, 19189-55-0, 25878-60-8, 25941-03-1, 32445-48-0, 32445-49-1, 32445-53-7, 32445-54-8, 34685-58-0, 34685-59-1, 43168-42-9, 43168-44-1, 43169-22-8, 43169-25-1, 66966-07-2, 70749-17-6, 80184-01-6, 93221-01-3, 93221-02-4, 99630-88-3, 109215-53-4, 115792-70-6, 115792-73-9, 139894-92-1, 139973-25-4, 144071-49-8, 147648-81-5
D-glucose pentaacetate

: 50-44-2
6H-purine-6-thione

: 6-mercapto-9-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)purine

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With ammonium sulfate; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; saccharin In acetonitrile for 5h; Vorbrueggen Nucleoside Synthesis; Reflux; Inert atmosphere; Stage #2: D-glucose pentaacetate With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 3h; Vorbrueggen Nucleoside Synthesis; Inert atmosphere; Reflux;	68%

: 50-44-2
6H-purine-6-thione

: 25878-60-8
D-galactose pentaacetate

: 6-mercapto-9-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)purine

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With ammonium sulfate; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; saccharin In acetonitrile for 5h; Vorbrueggen Nucleoside Synthesis; Reflux; Inert atmosphere; Stage #2: D-galactose pentaacetate With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 3h; Vorbrueggen Nucleoside Synthesis; Inert atmosphere; Reflux;	63%

: 50-44-2
6H-purine-6-thione

: 4-Chloro-N-[1-chloro-1-piperidin-1-yl-meth-(Z)-ylidene]-benzamide

: 4-chloro-N-<(6,7-dihydro-6-thioxo-1H-purin-7yl)(piperidin-1-yl)methyliden>benzamid

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide 1.) 80 deg C, 5 h, 2.) RT, 2 d;	62%

: 4-Chloro-N-[1-chloro-1-morpholin-4-yl-meth-(Z)-ylidene]-benzamide

: 50-44-2
6H-purine-6-thione

: 4-chloro-N-<(6,7-dihydro-6-thioxo-1H-purin-7-yl)(morpholin-1-yl)methyliden>benzamid

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide 1.) 80 deg C, 5 h, 2.) RT, 2 d;	60%

: 50-44-2
6H-purine-6-thione

: cis-Ru(II)(bipyridine)2Cl2*0.5H2O

: sodium perchlorate

: [Ru(2.2'-bipyridine)2(7H-purine-6(1H)thione)][ClO4]2*2.5H2O

Conditions

Conditions	Yield
With NaOH In methanol; water org. ligand suspended in aq. MeOH; pH adjusted to 8-9 (aq. NaOH); Ru complex added; mixt. refluxed for 3 h at 90°C; cooled to room temp.;NaClO4 added; mixt. concd. by rotary evaporator; recrystd. (H2O/MeOH); elem. anal.;	60%

...Expand

: 50-44-2
6H-purine-6-thione

: 62446-93-9
1,2,3,4-tetra-O-acetyl-D-xylopyranose

: 6-mercapto-9-(2',3',4'-tri-O-acetyl-β-D-xylopyranosyl)purine

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With ammonium sulfate; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; saccharin In acetonitrile for 5h; Vorbrueggen Nucleoside Synthesis; Reflux; Inert atmosphere; Stage #2: 1,2,3,4-tetra-O-acetyl-D-xylopyranose With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 3h; Vorbrueggen Nucleoside Synthesis; Inert atmosphere; Reflux;	60%

: 151908-65-5
1,2,3,4-Tetra-O-acetyl-D-lyxopyranose

: 50-44-2
6H-purine-6-thione

: 6-mercapto-9-(2',3',4'-tri-O-acetyl-β-D-lyxopyranosyl)purine

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With ammonium sulfate; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; saccharin In acetonitrile for 5h; Vorbrueggen Nucleoside Synthesis; Reflux; Inert atmosphere; Stage #2: 1,2,3,4-Tetra-O-acetyl-D-lyxopyranose With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 3h; Vorbrueggen Nucleoside Synthesis; Inert atmosphere; Reflux;	58%

: 83-87-4, 604-68-2, 604-69-3, 2152-77-4, 4026-35-1, 4163-59-1, 4163-60-4, 4163-61-5, 4163-65-9, 4257-94-7, 4257-96-9, 16299-15-3, 19186-39-1, 19189-55-0, 25878-60-8, 25941-03-1, 32445-48-0, 32445-49-1, 32445-53-7, 32445-54-8, 34685-58-0, 34685-59-1, 43168-42-9, 43168-44-1, 43169-22-8, 43169-25-1, 66966-07-2, 70749-17-6, 80184-01-6, 93221-01-3, 93221-02-4, 99630-88-3, 109215-53-4, 115792-70-6, 115792-73-9, 139894-92-1, 139973-25-4, 144071-49-8, 147648-81-5
D-Mannose pentaacetate

: 50-44-2
6H-purine-6-thione

: 6-mercapto-9-(2',3',4',6'-tetra-O-acetyl-β-D-mannopyranosyl)purine

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With ammonium sulfate; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; saccharin In acetonitrile for 5h; Vorbrueggen Nucleoside Synthesis; Reflux; Inert atmosphere; Stage #2: D-Mannose pentaacetate With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 3h; Vorbrueggen Nucleoside Synthesis; Inert atmosphere; Reflux;	55%

: 50-44-2
6H-purine-6-thione

: 870-63-3
prenyl bromide

: 6-prenylsulfanylpurine

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water for 2h;	53%

: 50-44-2
6H-purine-6-thione

: 18997-19-8
Chloromethyl pivalate

A: 80693-25-0
S6,9-bispivaloyloxymethyl-6-mercaptopurine

B: S6,3-bispivaloyloxymethyl-6-mercaptopurine

C: 2,2-Dimethyl-propionic acid 6-(2,2-dimethyl-propionyloxymethylsulfanyl)-purin-7-ylmethyl ester

D: 2,2-Dimethyl-propionic acid 1-(2,2-dimethyl-propionyloxymethyl)-6-thioxo-1,6-dihydro-purin-9-ylmethyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane Ambient temperature;	A 45% B 8% C 0.3% D 1%

...Expand

: 50-44-2
6H-purine-6-thione

: 49808-20-0
bis(6-purinyl) disulfide

Conditions

Conditions	Yield
With iodine; potassium iodide In phosphate buffer at 40℃; pH=7.5;	41%

: 50-44-2
6H-purine-6-thione

: 1300581-25-2
6-Bromo-2-(1-bromoethyl)-3-phenyl-4H-chromen-4-one

: 1300583-11-2
2-(1-(9H-Purin-6-ylthio)ethyl)-6-bromo-3-phenyl-4H-chromen-4-one

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 6-Bromo-2-(1-bromoethyl)-3-phenyl-4H-chromen-4-one In N,N-dimethyl-formamide for 12h;	37%

: 50-44-2
6H-purine-6-thione

: 58723-65-2
fac-[CoCl3(1,4,7-triazacyclononane)]

A: Co3(C5H2N4S)3(C6H15N3)3(3+)*3Cl(1-)*11H2O=[Co3(C5H2N4S)3(C6H15N3)3]Cl3*11H2O

B: Co4(C5H2N4S)4(C6H15N3)4(4+)*4ClO4(1-)*6H2O=[Co4(C5H2N4S)4(C6H15N3)4](ClO4)4*6H2O

Conditions

Conditions	Yield
With NaOH; Sephadex A-25, ClO4-form In water pH-adjustment of soln. of equimolar amts. Co-complex and purine to 8-9 (NaOH, repeated evapn. to dryness at 60°C (stirring) and dissoln. in water; concn., filtration off of trimer, chromy. (Sephadex C25, ClO4-form, hot water), crystn. (two crops); elem. anal.;	A 20% B 36%

...Expand

: 50-44-2
6H-purine-6-thione

: 76098-33-4
N-[1-Chloro-1-piperidin-1-yl-meth-(Z)-ylidene]-4-nitro-benzamide

A: N-<(6,9-dihydro-6-thioxo-1H-purin-9-yl)(piperidin-1-yl)methyliden>-4-nitrobenzamid

B: N-<(6,7-dihydro-6-thioxo-1H-purin-7-yl)(piperidin-1-yl)methyliden>-4-nitrobenzamid

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 72h; Ambient temperature;	A 32% B 35%

...Expand

: 50-44-2
6H-purine-6-thione

: 1300581-11-6
2-(Bromomethyl)-3-phenyl-4H-chromen-4-one

: 1300582-87-9
2-((9H-Purin-6-ylthio)methyl)-3-phenyl-4H-chromen-4-one

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 2-(Bromomethyl)-3-phenyl-4H-chromen-4-one In N,N-dimethyl-formamide for 12h;	33%

: 50-44-2
6H-purine-6-thione

: 1300581-10-5
6-Bromo-2-(bromomethyl)-3-phenyl-4H-chromen-4-one

: 1300582-89-1
2-[(9H-Purin-6-ylthio)methyl]-6-bromo-3-phenyl-4H-chromen-4-one

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 6-Bromo-2-(bromomethyl)-3-phenyl-4H-chromen-4-one In N,N-dimethyl-formamide for 12h;	28%

: 50-44-2
6H-purine-6-thione

: ammonium hexafluorophosphate

: C29H23ClN5Ru

: [Ru(tpy)(6,9-dimethylphenanthroline)(6-mercaptopurine)]PF6

Conditions

Conditions	Yield
Stage #1: 6H-purine-6-thione; C29H23ClN5Ru In methanol; water Reflux; Inert atmosphere; Schlenk technique; Darkness; Stage #2: ammonium hexafluorophosphate In ethanol; water Inert atmosphere; Schlenk technique; Darkness;	27%

...Expand

: [Ru(1,10-phenanthroline)2Cl2]

: 50-44-2
6H-purine-6-thione

: [Ru(phenanthroline)2(6-mercaptopurine)]Cl

Conditions

Conditions	Yield
With triethylamine In ethanol for 24h; Reflux; Inert atmosphere; Schlenk technique; Darkness;	27%

: 50-44-2
6H-purine-6-thione

: C42H31ClN4PRu(1+)*F6P(1-)

: [Ru(phenanthroline)2(triphenylphosphine)(6-mercaptopurine)]PF6

Conditions

Conditions	Yield
With triethylamine In methanol; water Reflux; Darkness; Schlenk technique; Inert atmosphere;	16%

: 50-44-2
6H-purine-6-thione

: cadmium(II) bromide tetrahydrate

: [Cd2Br4(6-mercaptopurine)2]*2H2O

Conditions

Conditions	Yield
With hydrogen bromide In water at 70℃; for 3h; pH=Ca. 1 - 2;	3.8%

: 50-44-2
6H-purine-6-thione

: 18997-19-8
Chloromethyl pivalate

: S6-pivaloyloxymethyl-6-mercaptopurine

Conditions

Conditions	Yield
In dimethyl sulfoxide Ambient temperature;	2.5%

: 4437-18-7
2-bromomethylfuran

: 50-44-2
6H-purine-6-thione

: 6741-85-1
6-furfurylmercapto-7(9)H-purine

Conditions

Conditions	Yield
With sodium hydroxide; diethyl ether

: 765-50-4
2-Chloromethylthiophene

: 50-44-2
6H-purine-6-thione

: 6975-77-5
6-[2]thienylmethylsulfanyl-7(9)H-purine

Conditions

Conditions	Yield
With potassium carbonate; N,N-dimethyl-formamide

: 6312-73-8
6-amino-5-bromo-2,4(1H,3H)-pyrimidinedione

: 50-44-2
6H-purine-6-thione

: 6-amino-5-(7(9)H-purin-6-ylmercapto)-1H-pyrimidine-2,4-dione

Conditions

Conditions	Yield
With ethanol

6-Mercaptopurine Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 240.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 26 ,1981,p. 249.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 26 ,1981,p. 249.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Studies (ipr); Equivocal Evidence: rat CANCAR Cancer. 40 (1977),1935. ; (ipr); Clear Evidence: mouse CANCAR Cancer. 40 (1977),1935. . EPA Genetic Toxicology Program.

6-Mercaptopurine Specification

6-Mercaptopurine, with the CAS NO.50-44-2, is an immunosuppressive drug. It has the Synonyms of LEUKERIN; 1,7-Dihydro-6H-purine-6-thione; 7H-PURINE-6-THIOL; 7-mercapto-1,3,4,6-tetrazaindene; 6-MERCAPTOPURINE; 6-PURINETHIOL; 6-THIOPURINE; 6-thioxopurine. It is used to treat leukemia, pediatric non-Hodgkin's lymphoma,[citation needed] polycythemia vera, psoriatic arthritis, and inflammatory bowel disease. 6-Mercaptopurine can be obtained by the reaction of seq xanthine with phosphorus pentasulfide.

Physical properties about 6-Mercaptopurine are: (1)ACD/LogP: -0.632; (2)ACD/LogD (pH 5.5): -0.64; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 10.71; (7)ACD/KOC (pH 7.4): 6.95; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction:1.941; (11)Molar Refractivity: 40.028 cm³; (12)Molar Volume: 83.36 cm³; (13)Polarizability:15.868 10-24cm³; (14)Surface Tension: 75.4020004272461 dyne/cm; (15)Density: 1.826 g/cm³; (16)Flash Point: 255.372 °C; (17)Enthalpy of Vaporization: 76.687 kJ/mol; (18)Boiling Point: 498.646 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10);
(2)InChIKey=GLVAUDGFNGKCSF-UHFFFAOYSA-N;
(3)Smilesc12c(nc[nH]c1=S)nc[nH]2

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
hamster	LD50	intraperitoneal	364mg/kg (364mg/kg)		Archives of Toxicology. Vol. 32, Pg. 1, 1974.
man	TDLo	oral	40mg/kg/1W-I (40mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Archives of Dermatology. Vol. 122, Pg. 1413, 1986.
mouse	LD50	intraperitoneal	80mg/kg (80mg/kg)		Cancer Research. Vol. 42, Pg. 122, 1982.
mouse	LD50	intravenous	80mg/kg (80mg/kg)		Cancer Research. Vol. 42, Pg. 122, 1982.
mouse	LD50	oral	260mg/kg (260mg/kg)		Cesko-Slovenska Farmacie. Vol. 14, Pg. 389, 1965.
mouse	LD50	subcutaneous	100mg/kg (100mg/kg)	IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASE IN HUMORAL IMMUNE RESPONSE	Journal of Medicinal Chemistry. Vol. 18, Pg. 320, 1975.
rat	LD50	intraperitoneal	159mg/kg (159mg/kg)		Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 41, Pg. 571, 1984.
rat	LD50	intravenous	250mg/kg (250mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1467, 1970.
rat	LD50	oral	277mg/kg (277mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 15, Pg. 1037, 1973.
rat	LD50	parenteral	250mg/kg (250mg/kg)		Recent Results in Cancer Research. Vol. 52, Pg. 76, 1975.
rat	LD50	subcutaneous	90mg/kg (90mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 15, Pg. 1037, 1973.

Product Name

6-Mercaptopurine

Synthetic route

6-Mercaptopurine Consensus Reports

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