Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-

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Names

[ CAS No. ]:
85622-95-3

[ Name ]:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-

[Synonym ]:
Azolastone
Mitozolamide
Mitozolomide

Chemical & Physical Properties

[ Density]:
1.94g/cm3

[ Boiling Point ]:
555.8ºC at 760 mmHg

[ Molecular Formula ]:
C7H7ClN6O2

[ Molecular Weight ]:
242.62200

[ Flash Point ]:
289.9ºC

[ Exact Mass ]:
242.03200

[ PSA ]:
108.17000

[ Index of Refraction ]:
1.834

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5927000
CHEMICAL NAME :
Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-
CAS REGISTRY NUMBER :
85622-95-3
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H7-Cl-N6-O2
MOLECULAR WEIGHT :
242.65

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
3108 ug/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Blood - changes in cell count (unspecified) Blood - changes in bone marrow (not otherwise specified) Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
50 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,1767,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Chloro-2-isocyanatoethane
  • 5-Amino-4-imidazolecarboxamide
  • 5-Diazoimidazole-4-carboxamide
  • 5-Amino-1-[N-(2-chloroethyl)carbamoyl]imidazole-4-carboxamide
  • 1H-Imidazole-4-carboxamide,5-azido-

DownStream

  • 5-Amino-4-imidazolecarboxamide
  • 1H-Imidazole-4-carboxamide,5-[3-(2-chloroethyl)-2-triazen-1-yl]-
  • 2-Chloroethanol
  • methyl 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
  • 8-(N-methyl)mitozolomide
  • 8-(N,N-dimethyl)mitozolomide
  • methyl 7-carbamoyl-2-methylidene-1,4,5,8-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxylate
  • ethyl 7-carbamoyl-2-methylidene-1,4,5,8-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxylate
  • 1H-Imidazole-4-carboxamide,5-azido-