tert-butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate | 1429889-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate；tert-butyl 4-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
• CAS: 1429889-47-3
• 化学式: C₂₂H₃₅BN₂O₅
• 分子量: 418.341
• InChiKey: OZZRJCPJDRCYGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  60.47
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate 在 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 70.25h， 生成 5-(6-(3-methoxy-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile trifluoroacetate
  参考文献：
  名称：

  [EN] TANK-BINDING KINASE INHIBITOR COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS DE KINASES SE LIANT À TANK

  摘要：

  揭示了具有以下化学式（I）的化合物及其使用和制备方法。

  公开号：

  WO2015187684A1
• 作为产物：
  描述：

  4-溴-1-碘-2-甲氧基苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 25.0h， 生成 tert-butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Syk 억제제

  摘要：

  This text appears to be a scientific or technical document discussing the therapeutic uses of a compound called Syk inhibitor in the treatment of various conditions including cancer and inflammatory diseases. It also mentions the chemical structure of the compound given by the chemical formula I. In the formula, X, X, X, R, R, R, R, and Y are as described in the specification. The document further provides methods for using these compounds and compositions containing compounds or salts thereof of the chemical formula I to treat conditions mediated by Syk.

  公开号：

  KR20160037198A

文献信息

• [EN] 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 3-(PYRAZOLYL)-1H-PYRROLO[2,3-B]PYRIDINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014006554A1

  公开（公告）日：2014-01-09

  The present application relates to novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives of formula (I), as protein kinase inhibitors. The invention particularly relates to compounds of formula (I), preparation of compounds and pharmaceutical compositions thereof. The invention further relates to pharmaceutically acceptable salts and compositions comprising the said novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives and their use in the treatment of various disorders.

  本申请涉及一种新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物，其化学式为(I)，作为蛋白激酶抑制剂。该发明特别涉及化合物的化学式(I)、化合物的制备以及其药物组成。该发明还涉及药用可接受的盐和组合物，包括所述新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物及其在治疗各种疾病中的应用。
• SYK INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150038488A1

  公开（公告）日：2015-02-05

  The present disclosure relates to compounds that are Syk inhibitors and to their use in the treatment of various disease states, including cancer and inflammatory conditions. In particular embodiments, the structure of the compounds is given by Formula I wherein X 1 , X 2 , X 3 , R 2 , R 3 , R 4 , R 5 , and Y are as described herein. The present disclosure further provides pharmaceutical compositions that include a compound of Formula I, or pharmaceutically acceptable salts thereof, and methods of using these compounds and compositions to treat conditions mediated by Syk.

  本公开涉及的化合物是Syk抑制剂，并且适用于治疗各种疾病状态，包括癌症和炎症性疾病。在特定实施例中，化合物的结构由公式I给出，其中X1、X2、X3、R2、R3、R4、R5和Y如本文所述。本公开进一步提供了包括公式I的化合物或其药学上可接受的盐的制药组合物，以及使用这些化合物和组合物治疗Syk介导的疾病的方法。
• 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors
  申请人：Aurigene Discovery Technologies Limited

  公开号：US20150336949A1

  公开（公告）日：2015-11-26

  The present application relates to novel 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives of formula (I), as protein kinase inhibitors. The invention particularly relates to compounds of formula (I), preparation of compounds and pharmaceutical compositions thereof. The invention further relates to pharmaceutically acceptable salts and compositions comprising the said novel 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives and their use in the treatment of various disorders.

  本申请涉及一种新型的3-(吡唑基)-1H-吡咯[2,3-b]吡啶衍生物，其为蛋白激酶抑制剂。本发明特别涉及化合物(I)的制备、化合物的制备和制药组合物。本发明还涉及药学上可接受的盐和组成物，包括所述新型3-(吡唑基)-1H-吡咯[2,3-b]吡啶衍生物及其在治疗各种疾病中的用途。
• TANK-BINDING KINASE INHIBITOR COMPOUNDS
  申请人：Du Zhimin

  公开号：US20150344473A1

  公开（公告）日：2015-12-03

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:

  公开具有以下式（I）的化合物及其使用和制备方法：
• 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors
  申请人：Aurigene Discovery Technologies Limited

  公开号：US09353107B2

  公开（公告）日：2016-05-31

  The present application relates to novel 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives of formula (I), as protein kinase inhibitors. The invention particularly relates to compounds of formula (I), preparation of compounds and pharmaceutical compositions thereof. The invention further relates to pharmaceutically acceptable salts and compositions comprising the said novel 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives and their use in the treatment of various disorders.

  本申请涉及一种新型的3-(吡唑基)-1H-吡咯[2,3-b]吡啶衍生物，其为蛋白激酶抑制剂。本发明特别涉及公式(I)化合物，其制备方法以及其制备的药物组成物。本发明进一步涉及药学上可接受的盐和组成物，包括所述新型3-(吡唑基)-1H-吡咯[2,3-b]吡啶衍生物，并将其用于治疗各种疾病。