4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
• 化学式: C₁₈H₁₅NO₅
• 分子量: 325.321
• InChiKey: JUVYRYASMYFMMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  85
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US20190284146A1

  公开（公告）日：2019-09-19

  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.

  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。
• Isoxazole Compounds As Inhibitors Of Heat Shock Proteins
  申请人：Drysdale Martin James

  公开号：US20120252797A1

  公开（公告）日：2012-10-04

  Isoxazoles of formula (A) or (B) wherein R 1 is a group of formula (IB) The isoxazoles are inhibitors of HSP90 activity, and useful for the treatment of, for example, cancers.

  化合物的式子为(A)或(B)，其中R1为式子(IB)所代表的基团。这些异噁唑是HSP90活性的抑制剂，可用于治疗癌症等疾病。
• Isozazole Compounds As Inhibitors Of Heat Shock Proteins
  申请人：Drysdale Martin James

  公开号：US20100179138A1

  公开（公告）日：2010-07-15

  Isoxazoles of formula (A) or (B) are inhibitors of HSP90 activity, and useful for treatment of, for example cancers: wherein R 1 , is a group of formula (IA): —Ar 1 -(Alk 1 ) p -(Z) r -(Alk 2 ) s -Q, wherein in any compatible combination Ar 1 is an optionally substituted aryl or heteroaryl radical, Alk 1 and Alk 2 are optionally substituted divalent C 1 -C 6 alkylene or C 2 -C 6 alkenylene radicals, p, r and s are independently 0 or 1, Z is -0-, —S—, —(C═O)—, —(C═S)—, —SO.sub.2-, —C(═O)O—, —C(═O)NR A —, —C(═S)NR A —, —SO 2 NR A —, —NR A C(═O)—, —NR A SO 2 —or —NR A — wherein R A is hydrogen or C 1 -C 6 alkyl, and Q is hydrogen or an optionally substituted carbocyclic or heterocyclic radical; R 2 is (i) a group of formula (IA) above or (ii) a carboxamide radical; or (iii) a non aromatic carbocyclic or heterocyclic ring wherein a ring carbon is optionally substituted, and/or a ring nitrogen is optionally substituted by a group of formula -(Alk 1 ) p -(Z) r -(Alk 2 ) s -Q wherein Q, Alk 1 , Alk 2 , Z, p, r and s are as defined above in relation to group (IA); and R 3 is hydrogen, optionally substituted cycloalkyl, cycloalkenyl, C 1 -C 6 alkyl, C 1 -C 6 alkenyl, or C 1 -C 6 alkynyl; or a carboxyl, carboxamide, or carboxyl ester group.

  式（A）或（B）的异噁唑是HSP90活性的抑制剂，可用于治疗癌症，例如：其中R1是以下式（IA）的基团：—Ar1-(Alk1)p-(Z)r-(Alk2)s-Q，其中在任何兼容的组合中，Ar1是可选取代的芳基或杂环芳基基团，Alk1和Alk2是可选取代的二价C1-C6烷基或C2-C6烯基基团，p，r和s独立地为0或1，Z为-0-，—S—，—（C═O）—，—（C═S）—，—SO.sub.2-，—C（═O）O—，—C（═O）NRA—，—C（═S）NRA—，—SO2NRA—，—NRAC（═O）—，—NRASO2—或—NRA—，其中RA为氢或C1-C6烷基，并且Q为氢或可选取代的碳环或杂环基团；R2为（i）上述式（IA）的基团或（ii）一个羧酰胺基团；或（iii）一个非芳香碳环或杂环环，其中一个环碳原子可选取代，和/或一个环氮原子可选取代为以下式的基团-(Alk1)p-(Z)r-(Alk2)s-Q，其中Q，Alk1，Alk2，Z，p，r和s如上所述定义于基团（IA）；和R3为氢，可选取代的环烷基，环烯基，C1-C6烷基，C1-C6烯基或C1-C6炔基；或羧基，羧酰胺基或羧酸酯基。
• 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。