Phomopsinamine | CAS 89085-54-1 | AnyMole

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HIT214321346

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HIT214321346

HIT ID:HIT214321346
Cas No:89085-54-1
常用名:Phomopsinamine
IUPAC:2-({1-[14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-(prop-1-en-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-4-carbonyl]-2,5-dihydro-1H-pyrrol-2-yl}formamido)-3-methylpent-2-enamide
IUPAC:2-({1-[14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-(prop-1-en-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-4-carbonyl]-2,5-dihydro-1H-pyrrol-2-yl}formamido)-3-methylpent-2-enamide
InChI key:YFIIICIITZPYSM-UHFFFAOYSA-N

分子式:C32H43ClN6O8
分子量:675.18
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)=C(NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)c2cc(Cl)c(O)c(OC1(C)CC)c2)C(C)=C)C(N)=O |w:2.2,c:9|
SMILES:CCC(C)=C(NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)c2cc(Cl)c(O)c(OC1(C)CC)c2)C(C)=C)C(N)=O |w:2.2,c:9|

Phomopsinamine is an inhibitor of microtubule polymerization and a derivative of phomopsin A .1It inhibits the rate and extent of polymerization of tubulin isolated from ovine brain (IC50s = 0.53 and 0.59 μM, respectively).

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