3-(2,4-dibenzyloxyl-5-isopropylphenyl)-4-iodoisoxazole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,4-dibenzyloxyl-5-isopropylphenyl)-4-iodoisoxazole-5-carboxylic acid
• 英文别名: 3-(2,4-dibenzyloxy-5-isopropylphenyl)-4-iodo-isoxazole-5-carboxylic acid；3-[2,4-Bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-iodo-1,2-oxazole-5-carboxylic acid；3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-iodo-1,2-oxazole-5-carboxylic acid
• 化学式: C₂₇H₂₄INO₅
• 分子量: 569.396
• InChiKey: SSMNCVKQOUKJJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2,4-dibenzyloxyl-5-isopropylphenyl)-4-iodoisoxazole-5-carboxylic acid 在 N,N-二异丙基乙胺 作用下， 生成 t-butyl 6-(3-(2,4-dibenzyloxy-5-isopropylphenyl)-5-(ethylcarbamoyl)isoxazol-4-yl)-1,1,3,4-tetrahydroisoquinoline-2-carboxylate
  参考文献：
  名称：

  M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF

  摘要：

  提供了一种由化学式（I）表示的m-二羟基苯酚衍生物的晶体和盐，以及其制备方法，以及晶体在制备用于治疗HSP90介导疾病的药物产品中的应用。

  公开号：

  US20190284146A1
• 作为产物：
  描述：

  2,4-dibenzyloxy-N-hydroxyl-5-isopropylbenzoimidoyl chloride 在 sodium hypochlorite 、 N-碘代丁二酰亚胺 、 氟氯氰菊酯 、 三乙胺 、 sodium sulfite 作用下， 生成 3-(2,4-dibenzyloxyl-5-isopropylphenyl)-4-iodoisoxazole-5-carboxylic acid
  参考文献：
  名称：

  M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF

  摘要：

  提供了一种由化学式（I）表示的m-二羟基苯酚衍生物的晶体和盐，以及其制备方法，以及晶体在制备用于治疗HSP90介导疾病的药物产品中的应用。

  公开号：

  US20190284146A1

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。
• M-dihydroxybenzene derivative crystal and salt, and manufacturing method thereof
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US10851071B2

  公开（公告）日：2020-12-01

  Provided are a crystal and salt of an m-dihydroxybenzene derivative represented by formula (I), a manufacturing method thereof, and an application of the crystal in preparing a pharmaceutical product for treating a HSP90-mediated disease.

  本发明提供了一种由式（I）表示的间二羟基苯衍生物的晶体和盐、其制造方法，以及该晶体在制备治疗 HSP90 介导的疾病的药物产品中的应用。
• EP3248968
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.