3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one

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Names

[ CAS No. ]:
80394-72-5

[ Name ]:
3-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxa-2,7,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one

[Synonym ]:
1-Oxaguanosine

Chemical & Physical Properties

[ Density]:
2.23g/cm3

[ Boiling Point ]:
758.1ºC at 760 mmHg

[ Molecular Formula ]:
C10H12N4O6

[ Molecular Weight ]:
284.22500

[ Flash Point ]:
412.3ºC

[ Exact Mass ]:
284.07600

[ PSA ]:
156.86000

[ Index of Refraction ]:
1.898

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5095480
CHEMICAL NAME :
Imidazo(4,5-d)(1,3)oxazin-7(3H)-one, 5-amino-3-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
80394-72-5
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-N4-O6
MOLECULAR WEIGHT :
284.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - rat Kidney
DOSE/DURATION :
100 ug/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 45,5230,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • benzyl (3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7-oxo-3,7-dihydroimidazo[4,5-d][1,3]oxazin-5-yl)carbamate
  • 5-[[(amino)carbonyl]amino]-1-(β-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid
  • (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(5-amino-4-((benzhydryloxy)carbonyl)-1H-imidazol-1-yl)tetrahydrofuran-3,4-diyl diacetate
  • 5-(3-((benzyloxy)carbonyl)ureido)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxylic acid
  • benzyl 5-(3-((benzyloxy)carbonyl)ureido)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxylate
  • 5-amino-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)imidazole-4-carboxylic acid benzyl ester
  • N1-hydroxyinosine

DownStream