N-Trifluoroacetyldoxorubicin

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Names

[ CAS No. ]:
26295-56-7

[ Name ]:
N-Trifluoroacetyldoxorubicin

[Synonym ]:
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.α.-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-

Chemical & Physical Properties

[ Density]:
1.66g/cm3

[ Boiling Point ]:
855.4ºC at 760 mmHg

[ Molecular Formula ]:
C29H28F3NO12

[ Molecular Weight ]:
639.52700

[ Flash Point ]:
471.1ºC

[ Exact Mass ]:
639.15600

[ PSA ]:
209.15000

[ LogP ]:
1.11200

[ Vapour Pressure ]:
3.7E-31mmHg at 25°C

[ Index of Refraction ]:
1.656

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI9428000
CHEMICAL NAME :
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-(( 2,3,6-trideoxy- 3-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy )-6,8,11-trihydroxy-, (8S-cis)-
CAS REGISTRY NUMBER :
26295-56-7
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C29-H28-F3-N-O12
MOLECULAR WEIGHT :
639.58
WISWESSER LINE NOTATION :
L E6 C666 BV MVT&&&J DQ HV1Q HQ KQ RO1 FO- FT6OTJ B1 CQ DMVXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
9 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 41,1006,1981

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Trifluoroacetonylmercaptoethanol
  • Doxorubicin Hydrochloride
  • Trifluoroacetic anhydride
  • Doxorubicin hydrochloride
  • Ethyl trifluoroacetate

DownStream

  • Valrubicin

Related Compounds

  • N-Trifluoroacetyldoxorubicin 14-valerate
  • N-trifluoroacetyldoxorubicin 14-O-hemiadipate
  • N-tert-butyl-3-nitroaniline
  • N-octanoyl benzotriazole
  • N,N-Dimethylcarbamic acid m-isopropylphenyl ester
  • N-(diaminomethylidene)pyrrolidine-1-carboximidamide,hydrochloride
  • 5-({[(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexyl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}methyl)-1H-pyrrole-2-carboxylic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[butyl(methyl)amino]benzoate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4-{N-ethyl-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-5-yl]formamido}butanoic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde