Chaetoglobosin A
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Chaetoglobosin A
structure -
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CAS No:
50335-03-0
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Formula:
C32H36N2O5
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Chemical Name:
Chaetoglobosin A
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Synonyms:
3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione,4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-,(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-;[13]Cytochalasa-13,17,21-triene-1,20,23-trione,6,7-epoxy-19-hydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-,(7S,13E,16S,17E,19R,21E)-;(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-4,7,14,14a,15,15a,16a,16b-Octahydro-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-3H-cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione;Chaetoglobosin A;3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione,4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-,[4S-(1E,4R*,5E,7S*,9E,11aS*,14R*,14aS*,15R*,15aS*,16aR*,16bS*)]-
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CAS No:
Description
Chaetoglobosin A, the active principle within the extract of Penicillium aquamarinium, is a member of the cytochalasan family. Chaetoglobosin A preferentially induces apoptosis. Chaetoglobosin A targets filamentous actin in CLL cells and thereby induces cell-cycle arrest and inhibits membrane ruffling and cell migration[1].
Characteristics
111.79000
4.16120
1.3 g/cm3
188°C
789.7ºC at 760 mmHg
431.4ºC
1.651
DMSO: soluble 10mg/mL
-20°C
Oral-rat LD50: > 400 mg/kg; Oral-Mouse LD50: > 400 mg/kg
Thermal decomposition to emit toxic nitrogen oxide fumes
Safety Information
NONH for all modes of transport
3
The warehouse is low-temperature, ventilated and dry; stored separately from food materials
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:528.6
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:528.26242225
Monoisotopic Mass:528.26242225
Topological Polar Surface Area:112
Heavy Atom Count:39
Complexity:1140
Defined Atom Stereocenter Count:9
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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