5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-吡咯并[2,3-B]吡啶-2(3H)-酮 | 1207623-97-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-吡咯并[2,3-B]吡啶-2(3H)-酮
• 中文别名: 5-(四甲基-1,3,2-二氧杂硼烷-2-基)-1H,2H,3H-吡咯并[2,3-b]吡啶-2-酮
• 英文名称: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
• 英文别名: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
• CAS: 1207623-97-9
• 化学式: C₁₃H₁₇BN₂O₃
• mdl: MFCD16995984
• 分子量: 260.101
• InChiKey: SQTORENJRGJAKX-UHFFFAOYSA-N

物化性质

• 沸点：
  449.5±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-吡咯并[2,3-B]吡啶-2(3H)-酮 在 sodium perborate tetrahydrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以100%的产率得到5-hydroxy-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
  参考文献：
  名称：

  [EN] OXINDOLES AND METHODS OF USE THEREOF
  [FR] OXINDOLES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本文公开了I'式化合物，或其立体异构体或互变异构体，或其药学上可接受的盐，以及包含这些化合物的制药组合物，并通过给予或接触受试者一种或多种上述化合物的方法来治疗疾病。

  公开号：

  WO2022099066A1
• 作为产物：
  描述：

  3,3,5-三溴-1H-吡咯[2,3-b]吡啶-2-酮 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 溶剂黄146 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-吡咯并[2,3-B]吡啶-2(3H)-酮
  参考文献：
  名称：

  [EN] 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS
  [FR] PYRAZOLES 3 SUBSTITUÉS ET UTILISATION EN TANT QU'INHIBITEURS DE DLK

  摘要：

  本发明提供了公式（I）的化合物及其各种实施方式，以及包含公式（I）的化合物及其各种实施方式的组合物。（I）在公式I的化合物中，基团R1、R2、R3、R4、R5、R6和R7的含义如本文所述。本发明还提供了使用公式I的化合物和包含公式（I）的化合物作为DLK抑制剂以及用于治疗神经退行性疾病和紊乱的方法。

  公开号：

  WO2014111496A1

文献信息

• [EN] NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVELLES PHÉNYLPYRIDINES/PYRAZINES À DEUX CYCLES POUR LE TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014090692A1

  公开（公告）日：2014-06-19

  The invention provides novel compounds having the general formula: wherein R1, R2 and R3 are as described herein, compositions including the compounds and methods of using the compounds.

  该发明提供了具有以下一般式的新化合物：其中R1、R2和R3如本文所述，包括该化合物的组合物以及使用该化合物的方法。
• [EN] 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS<br/>[FR] PYRAZOLES 3 SUBSTITUÉS ET UTILISATION EN TANT QU'INHIBITEURS DE DLK
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014111496A1

  公开（公告）日：2014-07-24

  The present invention provides for compounds of Formula (I) and various embodiments thereof, and compositions comprising compounds of Formula (I) and various embodiments thereof. (I) In compounds of Formula I, the groups R1, R2, R3, R4, R5, R6 and R7 have the meaning as described herein. The present invention also provides for methods of using compounds of Formula I and compositions comprising compounds of Formula (I) as DLK inhibitors and for treating neurodegeneration diseases and disorders.

  本发明提供了公式（I）的化合物及其各种实施方式，以及包含公式（I）的化合物及其各种实施方式的组合物。（I）在公式I的化合物中，基团R1、R2、R3、R4、R5、R6和R7的含义如本文所述。本发明还提供了使用公式I的化合物和包含公式（I）的化合物作为DLK抑制剂以及用于治疗神经退行性疾病和紊乱的方法。
• Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors
  申请人：Hummersone Marc Geoffrey

  公开号：US20080194546A1

  公开（公告）日：2008-08-14

  There is provided a compound of formula I: wherein: one or two of X 5 , X 6 and X 8 is N, and the others are CH; R 7 is selected from halo, OR O1 , SR S1 , NR N1 R N2 , NR N7a C(═O)R C1 , NR N7b SO 2 R S2a , an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 5-20 aryl group, where R O1 and R S1 are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N1 and R N2 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N1 and R N2 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R C1 is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 1-7 alkyl group or NR N8 R N9 , where R N8 and R N9 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N8 and R N9 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R S2a is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N7a and R N7b are selected from H and a C 1-4 alkyl group; R N3 and R N4 , together with the nitrogen to which they are bound, form a heterocyclic ring containing between 3 and 8 ring atoms; R 2 is selected from H, halo, OR O2 , SR S2b , NR N5 R N6 , an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, wherein R O2 and R S2b are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N5 and R N6 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, or R N5 and R N6 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms, or a pharmaceutically acceptable salt thereof, with the proviso that when R 2 is unsubstituted morpholino. R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted morpholino and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not N and X 8 is not CH, or X 6 is not CH and X 8 is not N, and when R 2 is unsubstituted piperidinyl, R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted piperidinyl and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not CH and X is not N. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了一种化合物，其化学式为I：其中：X5、X6和X8中的一个或两个是N，其余为CH；R7选自卤素、ORO1、SRS1、NRN1RN2、NRN7aC（═O）RC1、NRN7bSO2RS2a、可选取代的C5-20杂环芳基基团或可选取代的C5-20芳基基团，其中RO1和RS1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN1和RN2独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN1和RN2与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RC1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团、可选取代的C1-7烷基基团或NRN8RN9，其中RN8和RN9独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN8和RN9与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RS2a选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN7a和RN7b选自H和C1-4烷基基团；RN3和RN4与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；R2选自H、卤素、ORO2、SRS2b、NRN5RN6、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，其中RO2和RS2b选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN5和RN6独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，或RN5和RN6与它们所连接的氮原子一起形成含有3至8个环原子的杂环环，或其药学上可接受的盐，但当R2为未取代的吗啡啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的吗啡啶基，R7为未取代的苯基，且X5为CH时，X6不是N且X8不是CH，或X6不是CH且X8不是N，当R2为未取代的哌啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的哌啶基，R7为未取代的苯基，且X5为CH时，X6不是CH且X不是N。还提供了制造化合物I的方法，以及将化合物I用作药物治疗癌症的用途。
• Novel Compounds
  申请人：Duggan Mary Ellen Heather

  公开号：US20080081809A1

  公开（公告）日：2008-04-03

  There is provided a compound of formula I: , or a pharmaceutically acceptable salt thereof. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了一个公式I的化合物，或其药学上可接受的盐。还提供了制备公式1化合物的过程，以及将公式1化合物用作药物和治疗癌症的用途。
• Compounds
  申请人：AstraZeneca AB

  公开号：US07902189B2

  公开（公告）日：2011-03-08

  There is provided a compound of formula I: or a pharmaceutically acceptable salt thereof. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了式I的化合物或其药学上可接受的盐。还提供了制备式1化合物的方法，以及将式1化合物用作药物和治疗癌症的用途。