5-(2,4-dihydroxyl-5-isopropylphenyl)-N-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)isoxazole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 5-(2,4-dihydroxyl-5-isopropylphenyl)-N-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)isoxazole-3-carboxamide
• 英文别名: US10035792, Example 36；5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide
• 化学式: C₂₄H₂₇N₃O₄
• 分子量: 421.496
• InChiKey: OYDMZLJMLZZTSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-溴异喹啉 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium tetrahydroborate 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 水 、 potassium acetate 、 三氯化硼 、 potassium carbonate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 65.83h， 生成 5-(2,4-dihydroxyl-5-isopropylphenyl)-N-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)isoxazole-3-carboxamide
  参考文献：
  名称：

  EP3248968

  摘要：

  公开号：

文献信息

• RESORCINOL DERIVATIVE AS HSP90 INHIBITOR
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：EP3248968A1

  公开（公告）日：2017-11-29

  The present invention relates to a compound represented by formula (I) of a resorcinol derivative as an HSP90 inhibitor or pharmaceutically accepted salts thereof. The compound in the present invention has the activity of inhibiting heat shock protein HSP90. Therefore, the compound in the present invention is used to treat proliferative diseases such as cancer and neurodegenerative diseases. The present invention further provides the compounds and preparation methods for pharmaceutical compositions comprising the compounds, a method for treating diseases, and pharmaceutical compositions comprising the compounds.

  本发明涉及一种由式（I）代表的间苯二酚衍生物作为 HSP90 抑制剂的化合物或其药用盐。本发明中的化合物具有抑制热休克蛋白 HSP90 的活性。因此，本发明中的化合物可用于治疗增殖性疾病，如癌症和神经退行性疾病。本发明进一步提供了本发明化合物和包含本发明化合物的药物组合物的制备方法、治疗疾病的方法和包含本发明化合物的药物组合物。
• Resorcinol derivative as HSP90 inhibitor
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US10035792B2

  公开（公告）日：2018-07-31

  The present invention relates to a compound represented by formula (I) of a resorcinol derivative as an HSP90 inhibitor or pharmaceutically accepted salts thereof. The compound in the present invention has the activity of inhibiting heat shock protein HSP90. Therefore, the compound in the present invention is used to treat proliferative diseases such as cancer and neurodegenerative diseases. The present invention further provides the compounds and preparation methods for pharmaceutical compositions comprising the compounds, a method for treating diseases, and pharmaceutical compositions comprising the compounds.

  本发明涉及一种由式（I）代表的间苯二酚衍生物作为 HSP90 抑制剂的化合物或其药用盐。本发明中的化合物具有抑制热休克蛋白 HSP90 的活性。因此，本发明中的化合物可用于治疗增殖性疾病，如癌症和神经退行性疾病。本发明进一步提供了本发明化合物和包含本发明化合物的药物组合物的制备方法、治疗疾病的方法和包含本发明化合物的药物组合物。
• Resorcinol Derivative As HSP90 Inhibitor
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US20180009794A1

  公开（公告）日：2018-01-11

  The present invention relates to a compound represented by formula (I) of a resorcinol derivative as an HSP90 inhibitor or pharmaceutically accepted salts thereof. The compound in the present invention has the activity of inhibiting heat shock protein HSP90. Therefore, the compound in the present invention is used to treat proliferative diseases such as cancer and neurodegenerative diseases. The present invention further provides the compounds and preparation methods for pharmaceutical compositions comprising the compounds, a method for treating diseases, and pharmaceutical compositions comprising the compounds.
• EP3248968
  申请人：——

  公开号：——

  公开（公告）日：——