6-Thioguanine
Suppliers
Names
[ CAS No. ]:
154-42-7
[ Name ]:
6-Thioguanine
[Synonym ]:
MFCD00233553
2-Amino-6-methoxy purine
tabloid
2-aminomercaptopurine
2-amino-9H-purine-6(1H)-thione
tioguanin
2-Amino-6-purinethiol
bw5071
Tioguanine
2-Amino-6-mercaptopurine,2-Amino-6-purinethiol
7H-Purine-6-thiol, 2-amino-
2-Amino-6-mercaptopurine
2-Amino-1H-purine-6(7H)-thione
6-Thioguanine
lanvis
Tg
6-tg
thioguanine
thio-guanin
6-thioguanidine
EINECS 205-827-2
wellcomeu3b
2-Amino-1,7-dihydro-6H-purine-6-thione
6-Mercaptoguanine
Chemical & Physical Properties
[ Density]:
2.1±0.1 g/cm3
[ Boiling Point ]:
460.7±37.0 °C at 760 mmHg
[ Melting Point ]:
≥300 °C(lit.)
[ Molecular Formula ]:
C5H5N5S
[ Molecular Weight ]:
167.192
[ Flash Point ]:
232.4±26.5 °C
[ Exact Mass ]:
167.026566
[ PSA ]:
119.28000
[ LogP ]:
-0.99
[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C
[ Index of Refraction ]:
2.071
[ Water Solubility ]:
soluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UP0740000
- CHEMICAL NAME :
- Purine-6(1H)-thione, 2-amino-
- CAS REGISTRY NUMBER :
- 154-42-7
- LAST UPDATED :
- 199807
- DATA ITEMS CITED :
- 32
- MOLECULAR FORMULA :
- C5-H5-N5-S
- MOLECULAR WEIGHT :
- 167.21
- WISWESSER LINE NOTATION :
- T56 BNM FYM INJ FUS HZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes Blood - hemorrhage Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 54 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes Blood - hemorrhage Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD10 - Lethal Dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Blood - changes in bone marrow (not otherwise specified)
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 23720 ug/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 55990 ug/kg/5D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 56 mg/kg/2W-I
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 650 mg/kg/26W-I
- TOXIC EFFECTS :
- Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 46500 ug/kg/5D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 19950 ug/kg/4D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 23700 ug/kg/13D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from large intestine Nutritional and Gross Metabolic - body temperature increase Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 5700 ug/kg/13D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from large intestine Nutritional and Gross Metabolic - body temperature increase Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 25 mg/kg
- SEX/DURATION :
- female 12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 15 ug/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 139,149,1984 *** REVIEWS *** TOXICOLOGY REVIEW 32XPAD "Teratology," Berry, C.L., and D.E. Poswillo, eds., New York, Springer, 1975 Volume(issue)/page/year: -,49,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5676 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 82 (estimated) No. of Female Employees: 27 (estimated)
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301
[ Precautionary Statements ]:
P301 + P310
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R25
[ Safety Phrases ]:
S28-S36/37/39-S45-S28A
[ RIDADR ]:
UN 2811 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
UP0740000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Chem. Res. Toxicol. 23 , 171-83, (2010)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...
J. Sci. Ind. Res. 65(10) , 808, (2006)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...
Chem. Res. Toxicol. 23 , 1215-22, (2010)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...