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Didemnin B

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Name

Didemnin B

EINECS N/A
CAS No. 77327-05-0 Density 1.24g/cm3
PSA 287.90000 LogP 3.17870
Solubility N/A Melting Point N/A
Formula C57H89 N7 O15 Boiling Point 1274.4°C at 760 mmHg
Molecular Weight 1112.37 Flash Point 724.5°C
Transport Information N/A Appearance N/A
Safety A deadly poison by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 77327-05-0 (Didemnin B) Hazard Symbols N/A
Synonyms

Didemnin A,N-[1-(2-hydroxy-1-oxopropyl)-L-prolyl]-, (S)-;15H-Pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosine, cyclic peptidederiv.; L-Tyrosine,(2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-,(9®4)-lactone; NSC 325319; NSC333841

Article Data 6

Didemnin B Chemical Properties

  Didemnin B ,its CAS register number is 77327-05-0,it's called for N-(L-Lac-L-Pro-N-Methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-] ; NSC-325319 ; CHEBI:414264 ; NSC325319 ; AIDS002685 ; Nordidemnin ; Didemnin ; NorD ,and so on.

IUPAC Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-Butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
CAS: 77327-05-0
Molecular Formula:  C57H89N7O15
Molecular Weight: 1112.3545
Molecular structure:
ACD/LogD (pH 5.5): 0.24 
ACD/LogD (pH 7.4): 0.24 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 32.34 
ACD/KOC (pH 7.4): 32.33 
H bond acceptors: 22 
H bond donors: 5 
Freely Rotating Bonds: 17 
Index of Refraction: 1.569 
Molar Refractivity: 292.36 cm3 
Molar Volume: 891.6 cm3 
Polarizability: 115.9 10-24cm3 
Surface Tension: 58 dyne/cm 
Density: 1.24 g/cm3 
Flash Point: 724.5 °C 
Enthalpy of Vaporization: 199.66 kJ/mol 
Boiling Point: 1274.4 °C at 760 mmHg 
Vapour Pressure: 0 mmHg at 25°C 

Didemnin B Uses

 Didemnin B (CAS No.77327-05-0) is commonly used as antiviral drug, oncolytic drug  for antiinfective therapy.

Didemnin B Toxicity Data With Reference

1.    

dni-mus:leu 2500 ng/L

    CALEDQ    Cancer Letters (Shannon, Ireland). 23 (1984),279.
2.    

dni-mus:oth 400 µg/L

    CNREA8    Cancer Research. 44 (1984),1796.
3.    

oms-mus:oth 400 µg/L

    CNREA8    Cancer Research. 44 (1984),1796.
4.    

oms-mus:leu 2500 ng/L

    CALEDQ    Cancer Letters (Shannon, Ireland). 23 (1984),279.
5.    

ivn-rat LD50:860 µg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB84-192251 .
6.    

ivn-mus LD50:1530 µg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB84-192251 .
7.    

ivn-dog LDLo:418 µg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB84-192251 .

Didemnin B Safety Profile

 Didemnin B (CAS No.77327-05-0) is deadly poisonous by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

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