6-mercaptopurine riboside

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Names

[ CAS No. ]:
574-25-4

[ Name ]:
6-mercaptopurine riboside

[Synonym ]:
EINECS 209-371-5
MFCD00005743
6H-Purine-6-thione, 1,9-dihydro-9-.β.-D-ribofuranosyl-

Chemical & Physical Properties

[ Density]:
2.02g/cm3

[ Boiling Point ]:
714.7ºC at 760mmHg

[ Melting Point ]:
220-223ºC(lit.)

[ Molecular Formula ]:
C10H12N4O4S

[ Molecular Weight ]:
284.29200

[ Flash Point ]:
386ºC

[ Exact Mass ]:
284.05800

[ PSA ]:
148.51000

[ Index of Refraction ]:
1.6270 (estimate)

[ Storage condition ]:
-20°C

[ Stability ]:
Store in Cool Dry Place

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0710000
CHEMICAL NAME :
9H-Purine-6-thiol, 9-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
574-25-4
LAST UPDATED :
199606
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C10-H12-N4-O4-S
MOLECULAR WEIGHT :
284.32
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ ISH D- BT5OTJ CQ DQ E1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 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 - rat
DOSE/DURATION :
1240 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1310 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 :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/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 :
>8 gm/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 :
1270 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1840 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1250 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 :
Oral
DOSE :
350 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - skin and skin appendages Reproductive - Specific Developmental Abnormalities - homeostasis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
175 mg/kg
SEX/DURATION :
female 9-15 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 :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
42 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
87500 ug/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
21 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - skin and skin appendages
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
42 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
87500 ug/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - homeostasis

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
200 ug/plate
REFERENCE :
TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 44,96,1985

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ Safety Phrases ]:
S22;S24/25

[ WGK Germany ]:
3

[ RTECS ]:
UP0710000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • [14C]-6-Mercaptopurine
  • Uridine
  • D-RIBULOSE 5-PHOSPHATE DISODIUM SALT
  • Inosine, 6-thio-,2',3',5'-triacetate
  • S-allylthio-6-mercaptopurine riboside
  • Methanol
  • Nitrobenzylthioinosine
  • 1-Propanethiol

DownStream

  • Inosine, 6-thio-,2',3',5'-triacetate
  • NEBULARINE
  • 1-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylpropan-2-one
  • 2-(hydroxymethyl)-5-(6-propylsulfanylpurin-9-yl)oxolane-3,4-diol
  • Inosine,6-S-(phenylmethyl)-6-thio- (9CI)

Related Compounds

  • 6-mercaptopurine riboside
  • 6-mercaptopurine riboside triacetate
  • S-allylthio-6-mercaptopurine riboside
  • 2-AMINO-6-MERCAPTOPURINE RIBOSIDE,HYDRATE
  • 6-MERCAPTOPURINE RIBOSIDE 5''-PHOSPHATE SODIUM)
  • 2'-3'-O-Isopropylidene-6-mercaptopurine riboside
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-Methyl-1-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]-4-piperidinone
  • 1-(Pyridazin-3-yl)pyrrolidin-3-amine
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine