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CAS No.: | 77327-05-0 |
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Name: | Didemnin B |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C57H89 N7 O15 |
Molecular Weight: | 1112.37 |
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 |
Density: | 1.24g/cm3 |
Boiling Point: | 1274.4°C at 760 mmHg |
Flash Point: | 724.5°C |
Safety: | A deadly poison by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 287.90000 |
LogP: | 3.17870 |
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 (CAS No.77327-05-0) is commonly used as antiviral drug, oncolytic drug for antiinfective therapy.
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 (CAS No.77327-05-0) is deadly poisonous by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.