17-Dimethylaminoethylamino-17-demethoxygeldanamycin
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17-Dimethylaminoethylamino-17-demethoxygeldanamycin
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CAS No:
467214-20-6
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Formula:
C32H48N4O8
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Chemical Name:
17-Dimethylaminoethylamino-17-demethoxygeldanamycin
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Synonyms:
Geldanamycin,17-demethoxy-17-[[2-(dimethylamino)ethyl]amino]-;17-Demethoxy-17-[[2-(dimethylamino)ethyl]amino]geldanamycin;NSC 707545;17-DMAG;17-[2-(Dimethylamino)ethylamino]-17-desmethylgeldanamycin;DMAG;Alvespimycin;17-N-(2-Dimethylaminoethylamino)-17-demethoxygeldanamycin;17-Dimethylaminoethylamino-17-demethoxygeldanamycin
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CAS No:
Description
Alvespimycin is a potent inhibitor of Hsp90, binding to Hsp90 with an EC50 of 62 ± 29 nM.
Characteristics
169.52000
2.07
1.2±0.1 g/cm3
810.5±65.0 °C at 760 mmHg
444.0±34.3 °C
1.566
Soluble
Desiccate at -20°C
17-Dimethylaminoethylamino-17-demethoxygeldanamycin Use and Manufacturing
The labelled derivative of the analogue of Gelamycin (G304500) and 17-(Allylamino)geldanamycin (A549650). It acts as a Hsp90 inhibitor and displays more potent antitumor activity than 17-AAG.
Computed Properties
Molecular Weight:616.7
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:616.34721450
Monoisotopic Mass:616.34721450
Topological Polar Surface Area:170
Heavy Atom Count:44
Complexity:1230
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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17-Dimethylaminoethylamino-17-demethoxygeldanamycin
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