N-(5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)pyridin-2-yl)-2,6-difluorobenzamide | 1415640-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)pyridin-2-yl)-2,6-difluorobenzamide
• 英文别名: N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)pyridin-2-yl]-2,6-difluorobenzamide
• CAS: 1415640-08-2
• 化学式: C₁₉H₁₂ClF₂N₃O₃
• 分子量: 403.772
• InChiKey: CGYLBBYAVWRZBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  73.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)pyridin-2-yl)-2,6-difluorobenzamide 在 硼烷四氢呋喃络合物 、 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 以36%的产率得到5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(2,6-difluorobenzyl)pyridin-2-amine
  参考文献：
  名称：

  COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM

  摘要：

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。

  公开号：

  US20120316182A1
• 作为产物：
  描述：

  2-氨基吡啶-5-硼酸,频哪醇酯 在 4-二甲氨基吡啶 、 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) potassium phosphate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙腈 为溶剂， 反应 20.0h， 生成 N-(5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)pyridin-2-yl)-2,6-difluorobenzamide
  参考文献：
  名称：

  COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM

  摘要：

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。

  公开号：

  US20120316182A1

文献信息

• Pyrazine-containing compound
  申请人：CalciMedica, Inc.

  公开号：US10821109B1

  公开（公告）日：2020-11-03

  Compositions and methods related to the amelioration of pancreatitis through the pharmaceutical manipulation of calcium signaling are disclosed. Such compositions and methods may be used to ameliorate symptoms of acute or chronic pancreatitis or to reduce the chance or severity of pancreatitis in an individual at risk of the condition. In other embodiments, disclosed herein are compositions and methods related to the amelioration of viral diseases through the pharmaceutical manipulation of calcium signaling. In further embodiments, disclosed herein are compositions and methods related to the amelioration of Th17-induced diseases through the pharmaceutical manipulation of calcium signaling.

  本发明公开了与通过药物操纵钙信号改善胰腺炎有关的组合物和方法。此类组合物和方法可用于改善急性或慢性胰腺炎的症状，或降低高危人群患胰腺炎的几率或严重程度。在其他实施方案中，本文公开了与通过药物操纵钙信号转导改善病毒性疾病有关的组合物和方法。在进一步的实施方案中，本文公开了与通过药物操纵钙信号转导改善Th17诱导的疾病有关的组合物和方法。
• Pancreatitis treatment
  申请人：CALCIMEDICA, INC.

  公开号：US11311535B2

  公开（公告）日：2022-04-26

  Compositions and methods related to the amelioration of pancreatitis through the pharmaceutical manipulation of calcium signaling are disclosed. Such compositions and methods may be used to ameliorate symptoms of acute or chronic pancreatitis or to reduce the chance or severity of pancreatitis in an individual at risk of the condition. In other embodiments, disclosed herein are compositions and methods related to the amelioration of viral diseases through the pharmaceutical manipulation of calcium signaling. In further embodiments, disclosed herein are compositions and methods related to the amelioration of Th17-induced diseases through the pharmaceutical manipulation of calcium signaling.

  本发明公开了与通过药物操纵钙信号改善胰腺炎有关的组合物和方法。此类组合物和方法可用于改善急性或慢性胰腺炎的症状，或降低高危人群患胰腺炎的几率或严重程度。在其他实施方案中，本文公开了与通过药物操纵钙信号转导改善病毒性疾病有关的组合物和方法。在进一步的实施方案中，本文公开了与通过药物操纵钙信号转导改善Th17诱导的疾病有关的组合物和方法。
• PANCREATITIS TREATMENT
  申请人：Calcimedica, Inc.

  公开号：EP3261641A1

  公开（公告）日：2018-01-03
• PYRAZINE-CONTAINING COMPOUND
  申请人：CalciMedica, Inc.

  公开号：US20200368228A1

  公开（公告）日：2020-11-26

  Compositions and methods related to the amelioration of pancreatitis through the pharmaceutical manipulation of calcium signaling are disclosed. Such compositions and methods may be used to ameliorate symptoms of acute or chronic pancreatitis or to reduce the chance or severity of pancreatitis in an individual at risk of the condition. In other embodiments, disclosed herein are compositions and methods related to the amelioration of viral diseases through the pharmaceutical manipulation of calcium signaling. In further embodiments, disclosed herein are compositions and methods related to the amelioration of Th17-induced diseases through the pharmaceutical manipulation of calcium signaling.
• [EN] COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM<br/>[FR] COMPOSÉS QUI MODULENT LE CALCIUM INTRACELLULAIRE
  申请人：CALCIMEDICA INC

  公开号：WO2012170931A2

  公开（公告）日：2012-12-13

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.