Inosine,6-S-methyl-6-thio

Modify Date: 2026-06-30 19:44:12

Inosine,6-S-methyl-6-thio Structure
Inosine,6-S-methyl-6-thio structure
Common Name Inosine,6-S-methyl-6-thio
CAS Number 342-69-8 Molecular Weight 298.32
Density 1.85g/cm3 Boiling Point 636.3ºC at 760mmHg
Molecular Formula C11H14N4O4S Melting Point 166°C
MSDS Chinese USA Flash Point 338.6ºC

 Use of Inosine,6-S-methyl-6-thio


6-Methylmercaptopurine riboside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 6-methylthioinosine
Synonym More Synonyms

 Inosine,6-S-methyl-6-thio Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description 6-Methylmercaptopurine riboside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related Catalog
References

[1]. Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18(23):3373-88.  

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey ZDRFDHHANOYUTE-IOSLPCCCSA-N
SMILES CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O
Storage condition −20°C
Stability Incompatible with strong oxidizing agents.

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Articles27

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

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...

 Inosine,6-S-methyl-6-thioBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Concentration required to inhibit HSV type 1 strain HF induced cytopathogenic affects...
Source: ChEMBL
Target: Human alphaherpesvirus 1
External Id: CHEMBL694222
Name: Virus rating against rhinovirus type 1A
Source: ChEMBL
Target: Human rhinovirus 1A
External Id: CHEMBL800916
Name: Virus rating of against herpes simplex virus type 2
Source: ChEMBL
Target: Human alphaherpesvirus 2
External Id: CHEMBL696293
Name: Antiviral activity against Zika virus PE243 infected in African green monkey Vero cel...
Source: ChEMBL
Target: Zika virus
External Id: CHEMBL4337947
Name: In vitro antiviral activity in secondary cultures of rabbit kidney cells infected wit...
Source: ChEMBL
Target: Human alphaherpesvirus 1
External Id: CHEMBL877527
Name: Virus rating against parainfluenza virus type 3
Source: ChEMBL
Target: Human respirovirus 3
External Id: CHEMBL762072
Name: Inhibition Eimeria tenella growth
Source: ChEMBL
Target: Eimeria tenella
External Id: CHEMBL674773
Name: Antiviral activity against SARS-CoV Frankfurt1 in Vero E6 cells by plaque reduction a...
Source: ChEMBL
Target: Severe acute respiratory syndrome-related coronavirus
External Id: CHEMBL887577
Name: Inhibition of Cellular Replication of friend erythroleukemia cells
Source: ChEMBL
Target: Erythroleukemia cell line
External Id: CHEMBL681343
Name: Virus rating against adenovirus type 2
Source: ChEMBL
Target: Human adenovirus 2
External Id: CHEMBL641423
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 Inosine,6-S-methyl-6-thio | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of 6-methylthioinosine?
A: Boiling point of 6-methylthioinosine is 636.3ºC at 760mmHg.
Q: What is the English name of 6-methylthioinosine?
A: The English name of 6-methylthioinosine is 6-methylthioinosine.
Q: What is the molecular formula of 6-methylthioinosine?
A: Molecular formula of 6-methylthioinosine is C11H14N4O4S.
Q: What is the SMILES notation of 6-methylthioinosine?
A: SMILES notation of 6-methylthioinosine is CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O.
Q: What are the downstream products of 6-methylthioinosine?
A: Related downstream products(CAS) of 6-methylthioinosine: 50-66-8;18646-11-2;4338-47-0;58-61-7;23526-11-6;42021-78-3;132154-36-0;4542-23-8;53665-01-3.
Q: What are the uses of 6-methylthioinosine?
A: Main uses of 6-methylthioinosine: 6-Methylmercaptopurine riboside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Q: What is the CAS number of 6-methylthioinosine?
A: CAS number of 6-methylthioinosine is 342-69-8.
Q: What is the polar surface area (PSA) of 6-methylthioinosine?
A: Polar surface area (PSA) of 6-methylthioinosine is 138.82000.
Q: What is the melting point of 6-methylthioinosine?
A: Melting point of 6-methylthioinosine is 166°C.
Q: What is the molecular weight of 6-methylthioinosine?
A: Molecular weight of 6-methylthioinosine is 298.32.

 Inosine,6-S-methyl-6-thiofactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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