4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI)

Modify Date: 2024-04-05 14:44:09

4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI) Structure
4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI) structure
Common Name 4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI)
CAS Number 2862-16-0 Molecular Weight 267.23800
Density 1.9g/cm3 Boiling Point 624.8ºC at 760mmHg
Molecular Formula C11H13N3O5 Melting Point N/A
MSDS N/A Flash Point 331.7ºC

 Names

Name 4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.9g/cm3
Boiling Point 624.8ºC at 760mmHg
Molecular Formula C11H13N3O5
Molecular Weight 267.23800
Flash Point 331.7ºC
Exact Mass 267.08600
PSA 120.60000
Vapour Pressure 1.78E-16mmHg at 25°C
Index of Refraction 1.81

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY9450000
CHEMICAL NAME :
7H-Pyrrolo(2,3-d)pyrimidin-4-ol, 7-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
2862-16-0
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C11-H13-N3-O5
MOLECULAR WEIGHT :
267.27
WISWESSER LINE NOTATION :
T56 BN GN INJ FQ I- 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 :
26 mg/kg
TOXIC EFFECTS :
Gastrointestinal - peritonitis Liver - hepatitis (hepatocellular necrosis), zonal Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Gastrointestinal - peritonitis Liver - hepatitis (hepatocellular necrosis), zonal Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Gastrointestinal - peritonitis Liver - hepatitis (hepatocellular necrosis), zonal Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Gastrointestinal - peritonitis Liver - hepatitis (hepatocellular necrosis), zonal Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
48 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
48 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 29,116,1969

 Synthetic Route

~70%

4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro-7-b-D-ribofuranosyl-(8CI,9CI) Structure

4H-Pyrrolo[2,3-...

CAS#:2862-16-0

Literature: Moreau, Christelle; Wagner, Gerd K.; Weber, Karin; Guse, Andreas H.; Potter, Barry V. L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 17 p. 5162 - 5176

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

Antibiotic XK-101-2
7-Deazainosine
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