Name: PM-060184
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212713364
Cas No:960210-99-5
常用名:PM-060184
别名:PM 060184, Plocabulin
IUPAC:(1Z,4S,6Z)-1-[(2S)-2-[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienamido]-3,3-dimethylbutanamido]octa-1,6-dien-4-yl carbamate
IUPAC:(1Z,4S,6Z)-1-[(2S)-2-[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienamido]-3,3-dimethylbutanamido]octa-1,6-dien-4-yl carbamate
InChI key:IEKGSKLKBICCHQ-BDOJOPHNSA-N

分子式:C31H45N3O7
分子量:571.715
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:4.2068315
SMILES:COC1=CC[C@H](OC1=O)[C@@H](C)\C=C(/C)\C=C/C=C\C(=O)N[C@H](C(=O)N\C=C/C[C@H](C\C=C/C)OC(N)=O)C(C)(C)C |t:2|
SMILES:COC1=CC[C@H](OC1=O)[C@@H](C)\C=C(/C)\C=C/C=C\C(=O)N[C@H](C(=O)N\C=C/C[C@H](C\C=C/C)OC(N)=O)C(C)(C)C |t:2|

PM-060184, a tubulin polymerisation inhibitor, is used potentially for the treatment of solid tumours and breast cancer.

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