(+)-AEROPLYSININ-1
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(+)-AEROPLYSININ-1
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CAS No:
28656-91-9
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Formula:
C9H9Br2NO3
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Chemical Name:
(+)-AEROPLYSININ-1
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Synonyms:
(+)-aeroplysinini;(1s-trans)-3,5-dibromo-1,6-dihydroxy-4-methoxy-2,4-cyclohexadiene-1-acetonit;4-cyclohexadiene-1-acetonitrile,3,5-dibromo-1,6-dihydroxy-4-methoxy-(1s-tr;aeroplysinini;AEROPLYSININ;(+)-AEROPLYSININ-1;(+)-AEROPLYSININ-1, APLYSINA AEROPHOBA;AEROPLYSININ, APLYSINA AEROPHOBA
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CAS No:
Description
Aeroplysinin 1 is a tertiary alcohol.
(+)-Aeroplysinin-1 is a metabolite originally isolated from the marine spongeV. aerophobawith diverse biological activities. (+)-Aeroplysinin-1 (0.25-0.5 μM) induces cell death in MCF-7 and ZR-75-1 human breast cancer cells in a time- and concentration-dependent manner but has no effect on normal human fibroblasts at concentrations up to 5 μM. It also blocks EGF-induced endocytosis of the EGF receptor (EGFR) and EGF-dependent cell proliferation in MCF-7 cells. (+)-Aeroplysinin-1 inhibits bovine aortic endothelial (BAE) cell proliferation and cord formation in a Matrigel™ assay. It inhibits angiogenesis in a dose-dependent manner in a chick chorioallantoic membrane (CAM) assay when administered from 1.5 to 3 nmol per egg. (+)-Aeroplysinin-1 also has antibacterial activity against Gram-positive bacteria, includingS. aureus, S. albus, andB. subtilis, but not Gram-negative bacteria and inhibits HIV-1 replication (IC50= 14.6 μM)viainhibition of HIV-1 reverse transcriptase.
Characteristics
73.5
0.5
2.01±0.1 g/cm3(Predicted)
479.6±45.0 °C(Predicted)
10.54±0.70(Predicted)
Store at -20°C
(+)-AEROPLYSININ-1 Use and Manufacturing
(+)shy-Aeroplysinin-1 is a compound that is an inhibitor of EGFR kinase.
Computed Properties
Molecular Weight:338.98
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:338.89287
Monoisotopic Mass:336.89492
Topological Polar Surface Area:73.5
Heavy Atom Count:15
Complexity:382
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes