CAS 2239-64-7|6-mercaptopurine-2'-deoxyriboside

Introduction:Basic information about CAS 2239-64-7|6-mercaptopurine-2'-deoxyriboside, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name6-mercaptopurine-2'-deoxyriboside
CAS Number2239-64-7Molecular Weight268.29
Density1.87g/cm3Boiling Point665.9ºC at 760mmHg
Molecular FormulaC10H12N4O3SMelting Point/
MSDSChineseUSAFlash Point356.5ºC

Names

Name9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SynonymMore Synonyms

6-mercaptopurine-2'-deoxyriboside BiologicalActivity

Description2′-Deoxy-6-thioinosine 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 CatalogResearch Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>Nucleoside Antimetabolite/Analog
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

Density1.87g/cm3
Boiling Point665.9ºC at 760mmHg
Molecular FormulaC10H12N4O3S
Molecular Weight268.29
Flash Point356.5ºC
Exact Mass268.06300
PSA128.28000
LogP0.12960
Vapour Pressure1.23E-18mmHg at 25°C
Index of Refraction1.863
InChIKeyWACLJMMBCDNRJE-UHFFFAOYSA-N
SMILESOCC1OC(n2cnc3c(=S)nc[nH]c32)CC1O
Storage condition−20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0762000
CHEMICAL NAME :
9H-Purine-6(1H)-thione, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-
CAS REGISTRY NUMBER :
2239-64-7
LAST UPDATED :
199206
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-N4-O3-S
MOLECULAR WEIGHT :
268.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TDKNAF Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. (Osaka, Japan) V.1-28, 1936-69. For publisher information, see TAKHAA. Volume(issue)/page/year: 27,1,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TDKNAF Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. (Osaka, Japan) V.1-28, 1936-69. For publisher information, see TAKHAA. Volume(issue)/page/year: 27,1,1968

Safety Information

Hazard CodesXn: Harmful;
Risk Phrases22
Safety Phrases36
WGK Germany3
RTECSUP0762000

Articles3

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Synonyms

6-MERCAPTOPURINE-2'-DEOXYRIBONUCLEOSIDE
6-Mercaptopurine-2'-deoxyriboside
6-thio-2'-deoxyinosine
MFCD00056001
6-Mercapto-9-(2'-deoxy-b-D-ribofuranosyl)purine
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