Embelin
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Embelin
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CAS No:
550-24-3
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Formula:
C17H26O4
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Chemical Name:
Embelin
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Synonyms:
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-undecyl-;p-Benzoquinone,2,5-dihydroxy-3-undecyl-;Embelin;2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione;Embelic acid;Emberine;NSC 91874;2,5-Dihydroxy-3-undecyl-1,4-benzoquinone;2,5-Dihydroxy-3-undecylcyclohexa-2,5-dien-1,4-dione
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CAS No:
Description
Embelin is a cell-permeable benzoquinone compound that exhibits antitumor properties. Specifically antagonizes XIAP-mediated inhibition of caspase-9 activation by directly targeting the Smac and caspase-9 binding domain BIR3 (IC50 = 4.1 uM in a competitive binding assay with Smac peptide).IC50 value: 4.1 uM [1]Target: XIAPin vitro: Embelin induced activation of caspase-9 and embelin-induced apoptosis was prevented by caspase inhibitors [2]. Treatment with subtoxic doses of Embelin broadl
Embelin is a member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. It has a role as a hepatitis C protease inhibitor, an antimicrobial agent, an antineoplastic agent and a plant metabolite.
Characteristics
74.6
5.4
solid
0.27 g/cm3
142.5 °C
431.9°C at 760 mmHg
229.1±25.2 °C
1.538
DMSO: >10 mg/mL
Store at +4°C
Safety Information
NONH for all modes of transport
3
DK4230000
P201, P202, P281, P308+P313, P405, P501
H361
|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
Embelin Use and Manufacturing
Embelin is a natural benzoquinone found in plants of the Myrsinaceae family. Embelin has a wide range of biological activity as it inhibits the growth of bacteria, fungi, protozoa and parasites. Embelin also displays contraceptive and pro-apoptotic properties.
Computed Properties
Molecular Weight:294.4
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:294.18310931
Monoisotopic Mass:294.18310931
Topological Polar Surface Area:74.6
Heavy Atom Count:21
Complexity:432
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Embelin
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