2-(5-hydroxy-1H-pyrazol-3-yl)isoindoline-1,3-dione | 1160822-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(5-hydroxy-1H-pyrazol-3-yl)isoindoline-1,3-dione
• 英文别名: 2-(5-oxo-1,2-dihydropyrazol-3-yl)isoindole-1,3-dione
• CAS: 1160822-76-3
• 化学式: C₁₁H₇N₃O₃
• 分子量: 229.195
• InChiKey: UNWHYNDGCHZYFS-UHFFFAOYSA-N

物化性质

• 沸点：
  583.2±60.0 °C(Predicted)
• 密度：
  1.676±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(5-hydroxy-1H-pyrazol-3-yl)isoindoline-1,3-dione 在 偶氮二甲酸二异丙酯 、 对甲苯磺酸 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  화합물 및 염증성 질환 치료용 약학적 조성물

  摘要：

  This is a patent related to pharmaceutical compositions for the treatment of inflammatory diseases, characterized by compounds represented by the chemical formula I, their pharmaceutically acceptable salts, hydrates, or solvates. According to the invention, compounds that interact with and inhibit the 5-LOX pathway, particularly compounds with inhibitory effects on arachidonate 5-lipoxygenase, can be provided.

  公开号：

  KR101480674B1
• 作为产物：
  描述：

  苯酐 、 3-氨基-5-吡唑醇 在 溶剂黄146 作用下， 反应 1.0h， 以72%的产率得到2-(5-hydroxy-1H-pyrazol-3-yl)isoindoline-1,3-dione
  参考文献：
  名称：

  Pyrazolotriazines

  摘要：

  具有特定化学式I的化合物，其中R1、R2、A、R4、B、R5和R6的含义如描述中所示，是具有抗增殖和/或诱导凋亡活性的有效化合物。

  公开号：

  EP2070932A1

文献信息

• [EN] AURORA KINASE MODULATORS AND METHOD OF USE<br/>[FR] MODULATEURS D'AURORA KINASE ET PROCÉDÉ D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2009117157A1

  公开（公告）日：2009-09-24

  The present invention relates to chemical compounds having a general formula (I) wherein A1-5 and 7-8, D', L1, L2, R1, R3, R6-8, n and o are defined herein, and synthetic intermediates, which are capable of modulating the activity of Aurora kinase proteins and, thereby, influencing various disease states and conditions related to the activities of Aurora kinases. For example, the compounds are capable of influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of Aurora kinase.

  本发明涉及具有一般式(I)的化合物，其中在此定义了A1-5和7-8，D'，L1，L2，R1，R3，R6-8，n和o，以及合成中间体，这些化合物能够调节枢纽激酶蛋白的活性，从而影响与枢纽激酶活动相关的各种疾病状态和病况。例如，这些化合物能够影响细胞周期和细胞增殖过程，以治疗癌症和与癌症相关的疾病。该发明还包括包括这些化合物的药物组合物，以及治疗与枢纽激酶活性相关的疾病状态的方法。
• [EN] CYCLIC COMPOUNDS AND METHODS OF USING SAME<br/>[FR] COMPOSÉS CYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHRODINGER INC

  公开号：WO2021134004A1

  公开（公告）日：2021-07-01

  The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof which are MALT1 inhibitors. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases, such as cancer, autoimmune disorders, and inflammatory disorders.

  本申请涉及以下式（I）的化合物及其药用盐，其在此处定义为MALT1抑制剂。本申请还描述了包括式（I）化合物及其药用盐的药物组合物，以及使用这些化合物和组合物治疗疾病（如癌症、自身免疫性疾病和炎症性疾病）的方法。
• [EN] PYRAZOLOPYRIMIDINE AS MALT-1 INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DE MALT-1
  申请人：MEDIVIR AB

  公开号：WO2018226150A1

  公开（公告）日：2018-12-13

  The invention provides a compound of formula (I): herein R1, R2 and R3 of series (x), (y) and (z) are as defined in the specification which are potent inhibitors of the enzyme MALT1 and are useful in an immunooncology approach to the treatment of cancer, especially bladder cancer, colon cancer, hepatocellular cancer or small cell or non-small cell lung cancer.

  该发明提供了一种化合物，其化学式为（I）：在此，系列（x）、（y）和（z）中的R1、R2和R3如规范中定义，它们是MALT1酶的有效抑制剂，并且在免疫肿瘤学方法中对癌症的治疗中特别适用，尤其是膀胱癌、结肠癌、肝细胞癌或小细胞或非小细胞肺癌。
• FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME
  申请人：Mitsui Chemicals Agro, Inc.

  公开号：US20150368249A1

  公开（公告）日：2015-12-24

  Provided is a pest control agent containing a fused ring pyrimidine compound represented by the following formula (I) or a salt thereof as an effective component. In formula (I), A represents a nitrogen atom or C—R 4 , B represents a nitrogen atom or C—R 5 , D represents a nitrogen atom or C—R 6 , X represents an oxygen atom, N—R 7 or the like, each of R 1 , R 2 , R 4 and R 6 independently represents a hydrogen atom or the like, each of R 3a and R 3b independently represents a hydrogen atom or the like, R 5 represents an alkylthio group or the like, R 7 represents an alkoxy group or the like, and Ht represents a pyridyl group that may be substituted, or the like.

  提供的是一种杀虫剂，其有效成分为以下式子（I）所表示的融合环嘧啶化合物或其盐。在式（I）中，A表示氮原子或C-R4，B表示氮原子或C-R5，D表示氮原子或C-R6，X表示氧原子，N-R7或类似物，R1、R2、R4和R6中的每一个独立地表示氢原子或类似物，R3a和R3b中的每一个独立地表示氢原子或类似物，R5表示烷基硫基或类似物，R7表示烷氧基或类似物，Ht表示可能被取代的吡啶基或类似物。
• AURORA KINASE MODULATORS AND METHOD OF USE
  申请人：White Ryan

  公开号：US20110065709A1

  公开（公告）日：2011-03-17

  The present invention relates to chemical compounds having a general formula I wherein A 1-5 and 7-8 , D′, L 1 , L 2 , R 1 , R 3 , R 6-8 , n and o are defined herein, and synthetic intermediates, which are capable of modulating the activity of Aurora kinase proteins and, thereby, influencing various disease states and conditions related to the activities of Aurora kinases. For example, the compounds are capable of influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of Aurora kinase.

  本发明涉及一般式I的化合物，其中A1-5和7-8、D'、L1、L2、R1、R3、R6-8、n和o在此定义，以及能够调节极化激酶蛋白活性的合成中间体，从而影响与极化激酶活动相关的各种疾病状态和情况。例如，这些化合物能够影响细胞周期和细胞增殖过程以治疗癌症和与癌症相关的疾病。本发明还包括包括这些化合物的药物组合物以及治疗与极化激酶活性相关的疾病状态的方法。