3-Keto-N-aminoethyl-NaminocaproyldihydrocinnamoylCyclopamine
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3-Keto-N-aminoethyl-NaminocaproyldihydrocinnamoylCyclopamine
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CAS No:
306387-90-6
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Formula:
C44H63N3O4
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Chemical Name:
3-Keto-N-aminoethyl-NaminocaproyldihydrocinnamoylCyclopamine
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Synonyms:
3-Keto-N-aMinoethyl-N'-aMinocaproyldihydrocinnaMoyl CyclopaMine, >80%;Benzenepropanamide, N-[6-[[2-[(3'R,3'aS,6'S,6aS,6bS,7'aR,2'R,11aS,11bR)-1,2,3,3',3'a,4,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-3-oxospiro[9H-benzo[a]fluorene-9,2'(4'H)-furo[3,2-b]pyridin]-4'-yl]ethyl]amino]-6-oxohexyl]-
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CAS No:
3-Keto-N-aminoethyl-NaminocaproyldihydrocinnamoylCyclopamine Basic Attributes
697.99
697.48185750
DTXSID70587893
3-Keto-N-aminoethyl-NaminocaproyldihydrocinnamoylCyclopamine Use and Manufacturing
Cyclopamine demonstrates teratogenic properties and has been shown to reverse effects ofoncogenic mutations in Smoothened and Patched.1 The KAAD derivative has shown 10-20 fold higher potency than cyclopamine in inhibition of ?-Galactosidase expression i
Computed Properties
Molecular Weight:698.0
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:697.48185750
Monoisotopic Mass:697.48185750
Topological Polar Surface Area:87.7
Heavy Atom Count:51
Complexity:1370
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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