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6-Methylthioguanine

6-Methylthioguanine structure

CAS No:
1198-47-6
Formula:
C6H7N5S
Chemical Name:
6-Methylthioguanine
Synonyms:
9H-Purin-2-amine,6-(methylthio)-;Purine,2-amino-6-(methylthio)-;1H-Purin-2-amine,6-(methylthio)-;6-(Methylthio)-9H-purin-2-amine;2-Amino-6-methylthiopurine;2-Amino-6-methylmercaptopurine;6-Methylthioguanine;S-Methyl-6-thioguanine;S6-Methyl-6-thioguanine;NSC 29420;2002-61-1;37527-14-3
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

6-methylthioguanine is a metabolite of thioguanine, a drug used in cancer chemotherapy. It has a role as a human xenobiotic metabolite. It is a member of 2-aminopurines and a thiopurine. It derives from a tioguanine.

6-Methylthioguanine Basic Attributes

Molecular Weight：

181.22

Exact Mass：

181.22

EC Number：

214-833-4

UNII：

QNV75HJN3A

NSC Number：

29420

DSSTox ID：

DTXSID60152594

HScode：

2933990090

Characteristics

PSA：

106

XLogP3：

0.82

Appearance：

off-white crystalline powder

Density：

1.6±0.1 g/cm3

Melting Point：

237-241 °C (decomp)

Boiling Point：

622.1±58.0 °C at 760 mmHg

Flash Point：

330.0±32.3 °C

Refractive Index：

1.761

Vapor Pressure：

6.74E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

22-37/38-41

safety instructions：

24/25-39-26

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-methylthioguanine

6-Methylthioguanine Use and Manufacturing

A metabolite of 2’-Deoxy-6-thio Guanosine (D281650) and 6-Thioguanine. An effective immunosuppressant and anticancer agent, however chronic exposure can be mutagenic in human cells as long-term use of thiopurines was found to be associated with a significantly increased risk of various types of cancer.

Computed Properties

Molecular Weight:181.22
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:181.04221642
Monoisotopic Mass:181.04221642
Topological Polar Surface Area:106
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Methylthioguanine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

6-Methylthioguanine

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