2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide

Names

[ CAS No. ]:
97399-35-4

[ Name ]:
2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)carbamoyl]acetamide

[Synonym ]:
LS-8811
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(((2-methylphenyl)amino)carbonyl)

Chemical & Physical Properties

[ Molecular Formula ]:
C25H21Br2N5O3S

[ Molecular Weight ]:
631.33900

[ Exact Mass ]:
628.97300

[ PSA ]:
141.16000

[ LogP ]:
5.68360

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6322000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl )-4H-1,2,4-triazol-3- yl) thio)-N-(((2-methylphenyl)amino)carbonyl)-
CAS REGISTRY NUMBER :
97399-35-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H21-Br2-N5-O3-S
MOLECULAR WEIGHT :
631.39

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 20,190,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(2-chloroacetyl)-3-o-tolylurea
  • methyl 3,5-dibromo-2-hydroxybenzoate
  • 3,5-dibromosalicylhydrazide
  • Methyl salicylate

DownStream

Related Compounds

  • 3-({4H,5H,6H-cyclopenta[b]thiophen-2-yl}methyl)piperidin-3-ol
  • rac-(1R,2R)-2-(3-{[(tert-butoxy)carbonyl]amino}-4-chlorophenyl)cyclopropane-1-carboxylic acid
  • 3-(4-{[(Tert-butoxy)carbonyl]amino}-2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • O-[2-(2,3-dihydro-1H-inden-1-yl)propan-2-yl]hydroxylamine
  • tert-butyl N-[2-amino-1-(4-methanesulfonylphenyl)ethyl]carbamate
  • (2S)-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-6-yl}butan-2-amine
  • methyl 5-[(chlorosulfonyl)methyl]-1-methyl-1H-pyrazole-4-carboxylate
  • (1R)-1-{7-bromoimidazo[1,2-a]pyridin-2-yl}ethan-1-amine dihydrochloride
  • (1R)-1-{6-bromoimidazo[1,2-a]pyridin-2-yl}ethan-1-amine dihydrochloride
  • N'-hydroxy-3-(5-nitrofuran-2-yl)prop-2-enimidamide
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