6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine | 1402709-93-6

• 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: 6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine
• 英文别名: CCT241736；6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
• CAS: 1402709-93-6
• 化学式: C₂₂H₂₃Cl₂N₇
• 分子量: 456.378
• InChiKey: AKJBLKUZXRMECW-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO:75.0(最大浓度 mg/mL);164.34(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine 、 富马酸 以 丙醇 为溶剂， 反应 1.0h， 生成 6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine fumarate
  参考文献：
  名称：

  [EN] SALTS AND POLYMORPHIC FORMS OF 6-CHLORO-7-(4-(4-CHLOROBENZYL)PIPERAZIN-1-YL)-2-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-3H-IMIDAZO[4,5-B]PYRIDINE
  [FR] SELS ET FORMES POLYMORPHES DE 6-CHLORO-7-(4-(4-CHLOROBENZYL)PIPÉRAZIN-1-YL)-2-(1,3-DIMÉTHYL-1H-PYRAZOL-4-YL)-3H-IMIDAZO[4,5-B]PYRIDINE

  摘要：

  本发明涉及化合物A（6-氯-7-（4-（4-氯苯甲基）哌嗪-1-基）-2-（1,3-二甲基-1H-吡唑-4-基）-3H-咪唑[4,5-b]吡啶）的盐和多晶形，该化合物是Aurora激酶和类FMS酪氨酸激酶3（FLT3）活性的抑制剂。本发明还涉及制备该化合物的盐和多晶形的过程，以及包含它们的制药组合物，并将它们用于治疗增殖性疾病，如癌症，以及其他与Aurora激酶和/或FLT3活性有关的疾病或病况。

  公开号：

  WO2021176216A1
• 作为产物：
  描述：

  2-氨基-4-氯吡啶 在 N-氯代丁二酰亚胺 、 sodium dithionite 、 硫酸 、 硝酸 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 、 异丙醇 、 乙腈 为溶剂， 反应 44.17h， 生成 6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine
  参考文献：
  名称：

  咪唑并[4,5-b]吡啶类激酶抑制剂的优化：鉴定双 FLT3/Aurora 激酶抑制剂作为治疗急性髓系白血病的口服生物可利用临床前开发候选药物

  摘要：

  对基于咪唑并[4,5 - b ]吡啶的系列极光激酶抑制剂进行优化，鉴定出 6-chloro-7-(4-(4-chlorobenzyl)pirazin-1-yl)-2-(1, 3-dimethyl-1 H -pyrazol-4-yl)-3 H -imidazo[4,5- b ]pyridine ( 27e )，一种强效的 Aurora 激酶抑制剂 (Aurora-A K d = 7.5 nM, Aurora-B K d = 48 nM)、FLT3 激酶 ( K d = 6.2 nM) 和 FLT3 突变体，包括 FLT3-ITD ( K d = 38 nM) 和 FLT3(D835Y) ( K d = 14 nM)。FLT3-ITD 引起组成型 FLT3 激酶激活，在 20-35% 的成人和 15% 的急性髓性白血病 (AML) 患儿中检测到，这两个年龄组的预后都很差。在体内环境中，27e在口服给药后强烈抑制FLT3

  DOI：

  10.1021/jm300952s

文献信息

• [EN] PHARMACEUTICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUEMENT ACTIFS
  申请人：CANCER REC TECH LTD

  公开号：WO2013190319A1

  公开（公告）日：2013-12-27

  The present invention relates to compounds of formula I: wherein R1 and R2 are as defined herein, or a pharmaceutically acceptable salt or solvate thereof. The compounds of formula I are inhibitors of aurora kinase and/or FLT3. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which aurora kinase and/or FLT3 activity is implicated.

  本发明涉及式I的化合物：其中R1和R2如本文所定义，或其药学上可接受的盐或溶剂。式I的化合物是极化酪氨酸激酶和/或FLT3的抑制剂。本发明还涉及制备这些化合物的过程，包括它们的制药组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及极化酪氨酸激酶和/或FLT3活性的疾病或病况中的使用。
• PHARMACEUTICALLY ACTIVE COMPOUNDS
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20150266868A1

  公开（公告）日：2015-09-24

  The present invention relates to compounds of formula I: wherein R 1 and R 2 are as defined herein, or a pharmaceutically acceptable salt or solvate thereof. The compounds of formula I are inhibitors of aurora kinase and/or FLT3. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which aurora kinase and/or FLT3 activity is implicated.

  本发明涉及公式I的化合物：其中R1和R2如本文所定义，或其药学上可接受的盐或溶剂。公式I的化合物是aurora激酶和/或FLT3的抑制剂。本发明还涉及制备这些化合物的方法，包括它们的制药组合物，以及它们在治疗增殖性疾病，如癌症，以及其他涉及aurora激酶和/或FLT3活性的疾病或病况中的使用。
• Pharmaceutically active compounds
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US09447092B2

  公开（公告）日：2016-09-20

  The present invention relates to compounds of formula I: wherein R1 and R2 are as defined herein, or a pharmaceutically acceptable salt or solvate thereof. The compounds of formula I are inhibitors of aurora kinase and/or FLT3. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which aurora kinase and/or FLT3 activity is implicated.

  本发明涉及公式I的化合物：其中R1和R2如本文所定义，或其药学上可接受的盐或溶剂。公式I的化合物是aurora激酶和/或FLT3的抑制剂。本发明还涉及制备这些化合物的过程，包括它们的制药组合物以及它们在治疗增生性疾病（如癌症）以及其他涉及aurora激酶和/或FLT3活性的疾病或情况中的应用。
• US9447092B2
  申请人：——

  公开号：US9447092B2

  公开（公告）日：2016-09-20
• [EN] PHARMACEUTICAL FORMULATIONS COMPRISING 6-CHLORO-7-(4-(4-CHLOROBENZYL)PIPERAZIN-1 -YL)-2-(1,3-DIMETHYL-1 HPYRAZOL-4-YL)-3H- IMIDAZO[4,5-B]PYRIDINE<br/>[FR] FORMULATIONS PHARMACEUTIQUES COMPRENANT DU 6-CHLORO-7-(4-(4-CHLOROBENZYL)PIPÉRAZIN-1-YL)-2-(1,3-DIMÉTHYL-1 HPYRAZOL-4-YL)-3 H-IMIDAZO[4,5-B]PYRIDINE
  申请人：ELLIPSES PHARMA LTD

  公开号：WO2021176214A1

  公开（公告）日：2021-09-10

  The present invention relates to formulations comprising a compound of Formula (1) (6-chloro-7-(4-(4- chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine) which is an inhibitor of Aurora kinase enzyme activity and FMS-like tyrosine kinase 3 (FLT3) activity, and a non-ionic surfactant. The present invention also relates to processes for the preparation of the formulations of the compound, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which Aurora kinase and/or FLT3 activity is implicated.