AI 77B
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AI 77B
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CAS No:
77674-99-8
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Formula:
C20H28N2O8
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Chemical Name:
AI 77B
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Synonyms:
AI 77B;(3S,4S,5S)-3-Amino-4,5-dihydroxy-6-oxo-6-[[(1S)-1-[(3S)-1-oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]hexanoic acid;(3S,4S,5S)-3-Amino-4,5-dihydroxy-6-oxo-6-[[(S)-1-[(S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]hexanoic acid;D-ribo-Hexonic acid, 3-amino-2,3,6-trideoxy-6-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-6-oxo-
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CAS No:
Characteristics
179 Ų
1.381±0.06 g/cm3(Predicted)
137-138 °C
830.3±65.0 °C(Predicted)
3.48±0.10(Predicted)
Drug Information
6-((1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)amino)-4,5-dihydroxy-6-oxo-3-ammoniohexanoate
AI 77B Use and Manufacturing
Amicoumacin B can be produced by actinomycete, strain 04-5195T.. Amicoumacin B increases the expression of bone morphogenetic protein 2 (BMP-2). Amicoumacin B has inhibitory effect against C. violaceum (MIC = 250 μg/mL). Amicoumacin B has quorum sensing inhibitory activity, and reduces the expression of the C. violaceum operons vioA, vioB, vioD, and vioE, but increases the expression of vioC[1][2].
Computed Properties
Molecular Weight:424.4
XLogP3:-1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:424.18456586
Monoisotopic Mass:424.18456586
Topological Polar Surface Area:179
Heavy Atom Count:30
Complexity:628
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes