Inosine,6-S-methyl-6-thio-

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Names

[ CAS No. ]:
342-69-8

[ Name ]:
Inosine,6-S-methyl-6-thio-

[Synonym ]:
EINECS 206-442-2
6-MethylmercaptopurineRiboside
MFCD00022826
6-Methylthioinosine
METHYLTHIOINOSINE
6-Methylmercaptopurinribosid
6-methylmp-riboside
6-MMPR
6-METHYLTHIOPURINE RIBOSIDE
6-Methylmercaptopurine riboside

Chemical & Physical Properties

[ Density]:
1.85g/cm3

[ Boiling Point ]:
636.3ºC at 760mmHg

[ Melting Point ]:
166°C

[ Molecular Formula ]:
C11H14N4O4S

[ Molecular Weight ]:
298.32

[ Flash Point ]:
338.6ºC

[ Exact Mass ]:
298.07400

[ PSA ]:
138.82000

[ Index of Refraction ]:
1.822

[ Storage condition ]:
−20°C

[ Stability ]:
Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8985000
CHEMICAL NAME :
9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
342-69-8
BEILSTEIN REFERENCE NO. :
0042871
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C11-H14-N4-O4-S
MOLECULAR WEIGHT :
298.35
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ IS1 D- BT5OTJ CQ DQ E1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
137 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
44 mg/kg/7W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Endocrine - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Endocrine - adrenal cortex tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
65 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
3 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,1587,1983

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UO8985000

[ HS Code ]:
29349990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Sodium thiomethoxide
  • 2',3',5'-Tri-O-acetyladenosine
  • Adenosine
  • 9-(β-D-ribofuranosyl)-6-(1,2,4-triazol-4-yl)purine
  • tri-O-benzoyl-1-(6-methylsulfanyl-purin-9-yl)-β-D-1-deoxy-ribofuranose
  • methyl iodide
  • b-D-Ribofuranose 1-acetate 2,3,5-tribenzoate
  • 6-(Methylthio)purine
  • (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

DownStream

  • 6-(Methylthio)purine
  • α-D-ribofuranosyl phosphate, free acid
  • Kinetin riboside
  • Adenosine
  • Inosine,2'-deoxy-6-S-methyl-6-thio- (9CI)
  • [7,7-dimethyl-2-(6-methylsulfanylpurin-9-yl)-3,6,8-trioxabicyclo[3.3.0]oct-4-yl]methanol
  • N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-D-aspartic acid
  • N6-Succinyl Adenosine
  • 2-(6-aziridin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Articles

The role of inosine-5'-monophosphate dehydrogenase in thiopurine metabolism in patients with inflammatory bowel disease.

Ther. Drug Monit. 33 , 200-208, (2011)

There is a large interindividual variability in thiopurine metabolism. High concentrations of methylthioinosine-5'-monophosphate (meTIMP) and low concentrations of 6-thioguanine nucleotides (6-TGNs) h...

Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa.

Biochemistry 51(45) , 9094-103, (2012)

Pseudomonas aeruginosa possesses an unusual pathway for 5'-methylthioadenosine (MTA) metabolism involving deamination to 5'-methylthioinosine (MTI) followed by N-ribosyl phosphorolysis to hypoxanthine...

A prospective, open-label trial of 6-thioguanine in patients with ulcerative or indeterminate colitis.

Scand. J. Gastroenterol. 40(10) , 1205-13, (2005)

6-thioguanine (6-TG) has emerged as a promising therapeutic alternative in patients with Crohn's disease intolerant or resistant to azathioprine (AZA) and/or 6-mercaptopurine (6-MP). The aim of the pr...


More Articles

Related Compounds

  • Inosine,6-S-methyl-6-thio-,monohydrate
  • Inosine,6-S-methyl-6-thio-, 5'-carbamate (9CI)
  • (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
  • Inosine,2'-deoxy-6-S-methyl-6-thio- (9CI)
  • Inosine,2-fluoro-6-S-methyl-6-thio- (9CI)
  • alpha-D-Glucopyranoside, methyl 6-S-methyl-6-thio- (9CI)
  • 1-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-(2,5-dimethylphenyl)-4-(4-(4-fluorophenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-phenylethenesulfonyl)piperazine
  • N-benzyl-1-(2,5-dimethylphenyl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 1-(2,5-dimethylphenyl)-N,N-diethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • [1-(2,5-Dimethylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl](methylethyl)benzylamine
  • 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-(2,5-dimethylphenyl)-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-(2,5-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  • 1-(2,5-dimethylphenyl)-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
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