N-(Trifluoroacetyl)thiodemecolcine

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Names

[ CAS No. ]:
92264-45-4

[ Name ]:
N-(Trifluoroacetyl)thiodemecolcine

[Synonym ]:
Faveptv
L-Valine,N-(O-(oxiranylmethyl)-N-(N-(trifluoroacetyl)-L-valyl)-L-tyrosyl)-,methyl ester
N-(trifluoroacetyl)thiodemecolcine
N-(Trifluoroacetyl)-val-O'-(2,3-epoxypropyl)-tyr-val methyl ester
N-(Trifluoroacetyl)valyl-O'-(2,3-epoxypropyl)tyrosyl-valine methyl ester
N-(trifluoroacetyl)-L-valyl-O'-(2,3-epoxypropyl)-L-tyrosyl-L-valine methyl ester

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
697.6ºC at 760 mmHg

[ Molecular Formula ]:
C23H24F3NO5S

[ Molecular Weight ]:
483.50100

[ Flash Point ]:
375.7ºC

[ Exact Mass ]:
483.13300

[ PSA ]:
90.37000

[ LogP ]:
4.46950

[ Index of Refraction ]:
1.577

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC6149500
CHEMICAL NAME :
Acetamide, N-methyl-N-(10-(methylthio)-9-oxo-1,2,3-trimethoxy-5, 6,7,9-tetrahydrobenzo (a) heptalen-7-yl)-2,2,2-trifluoro-
CAS REGISTRY NUMBER :
92264-45-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H24-F3-N-O5-S
MOLECULAR WEIGHT :
483.54

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1204,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
  • methyl iodide
  • Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-

DownStream

  • Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-

Related Compounds

  • N-(trifluoroacetyl)-di(p-methoxyphenyl)tellurimide
  • N-(Trifluoroacetyl)-L-tryptophan
  • N-trifluoroacetyl-DL-tyrosine ethyl ester
  • N-trifluoroacetyl-L-DOPA hydroxysuccinimide ester
  • N-(Trifluoroacetyl)-L-valine butyl ester
  • N-(trifluoroacetyl)-4-demethoxy-10,10-dimethyldaunomycin