1316214-52-4 2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]嘧啶-5-甲酰胺

中文名称: 2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]嘧啶-5-甲酰胺
英文名称: 2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide
CAS号
分子式: C₂₄H₂₇N₅O₃
分子量: 433.5
更新日期: 2026-06-23

名称和标识

中文名: 2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]嘧啶-5-甲酰胺
英文名: 2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide
CAS号: 1316214-52-4
分子式: C24H27N5O3
分子量: 433.5
中文别名: Ricolinostat; 2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]-5-嘧啶羧酰胺; 2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]-5-嘧啶甲酰胺; ACY1215; Rocilinostat
英文别名: Ricolinostat; N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide; ACY-1215; ACY-63; Rocilinostat; ACY 63; ACY 1215; cc-661; 2-(Diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide; 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-

物化属性

LogP: 1.41
Num. H-bond acceptors: 5.0
Num. H-bond donors: 3.0
PSA: 114.43000
TPSA: 107.45 Å²
XLogP3: 3.42
储存条件: 室温，干燥，密封
外观: 白色至类白色固体
密度: 1.2±0.1 g/cm³
折射率: 1.620
拓扑极性表面积: 114.43 Å²
水溶解性: 4.3E-3 g/L (25 ºC)
溶解度: 0.0249 mg/ml；0.0000575 mol/l
熔点: 189-191℃
酸度系数(pKa): 9.47±0.20 (Predicted)

安全信息

安全说明

危险性质：非危险化学品

生产及用途

用途与制备

生命科学，是一种有效、选择性的 HDAC6 抑制剂，信号转导通路激酶抑制剂，药物活性分子。

医药

合成路线 1（1. 合成：1316214-52-4）

产率：48% 合成条件：Stage #1: With sodium hydroxide In methanol; dichloromethane at 0℃; for 0.17 h; Stage #2: With hydroxylamine In methanol; dichloromethane; water at 0 - 20℃; for 0.33 h; Stage #3: With hydrogenchloride In water 实验步骤：将化合物6（2.0g，4.6mmol），氢氧化钠（2N，20mL）在MeOH（50ml）和DCM（25ml）中的混合物在0℃下搅拌10分钟。将羟胺（50％）（10ml）冷却至0℃并加入混合物中。将得到的混合物在室温下搅拌20分钟。除去溶剂后，将混合物用1M HCl中和，得到白色沉淀。将粗产物过滤并通过预HPLC纯化，得到白色固体（950mg，48％）。 参考文献：

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