Name: PIK5-12d
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218904403
Cas No:
常用名:PIK5-12d
IUPAC:N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-{4-[2-({4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}oxy)ethyl]phenyl}hexanediamide
IUPAC:N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-{4-[2-({4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}oxy)ethyl]phenyl}hexanediamide
InChI key:BQGREFVYIDLIFJ-CATAWDBESA-N

分子式:C52H64N10O7S
分子量:973.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCC(=O)Nc2ccc(CCOc3nc(N\N=C\c4cccc(C)c4)cc(n3)N3CCOCC3)cc2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCC(=O)Nc2ccc(CCOc3nc(N\N=C\c4cccc(C)c4)cc(n3)N3CCOCC3)cc2)C(C)(C)C)cc1

PIK5-12d 是一种 PROTAC PIKfyve 降解剂，具有抗肿瘤活性，诱导大量细胞质空泡化并阻断自噬流。PIK5-12d 抑制癌细胞增值，可用于研究前列腺癌。

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