N-(5-bromopyridin-2-yl)-2,6-difluorobenzamide | 932907-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(5-bromopyridin-2-yl)-2,6-difluorobenzamide
• CAS: 932907-33-0
• 化学式: C₁₂H₇BrF₂N₂O
• mdl: MFCD09452116
• 分子量: 313.101
• InChiKey: GHRPNIKMWLGACB-UHFFFAOYSA-N

物化性质

• 沸点：
  313.6±42.0 °C(Predicted)
• 密度：
  1.682±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(5-bromopyridin-2-yl)-2,6-difluorobenzamide 、 5,5-dimethyl-3-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl) isoxazol-4(5H)-one 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 以32%的产率得到N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyridin-2-yl)-2,6-difluorobenzamide
  参考文献：
  名称：

  Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide. Structure–Activity Relationship and Preclinical Characterization

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01403
• 作为产物：
  描述：

  5-溴-2-氯吡啶 、 2,6-二氟苯甲酰胺 在 copper(l) iodide 、 N,N-二甲基乙二胺 potassium phosphate 作用下， 以 1,4-二氧六环 为溶剂， 反应 15.0h， 生成 N-(5-bromopyridin-2-yl)-2,6-difluorobenzamide
  参考文献：
  名称：

  [EN] OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS
  [FR] MODULATEURS DE CANAUX CRAC À BASE D'OXAZOLE ET D'ISOXAZOLE

  摘要：

  公开号：

  WO2012056478A8

文献信息

• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Whitten Jeffrey P.

  公开号：US20110263612A1

  公开（公告）日：2011-10-27

  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.

  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。
• [EN] CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS<br/>[FR] DÉRIVÉS DE CHROMANE ET DE CHROMÈNE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE CRAC
  申请人：LUPIN LTD

  公开号：WO2014207648A1

  公开（公告）日：2014-12-31

  The invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine for the treatment of diseases, disorders associated with the modulation of calcium release-activated calcium (CRAC) channel. The invention also relates to pharmaceutical compositions containing such compounds in treating diseases disorders associated with calcium release- activated calcium (CRAC) channel modulators.

  这项发明涉及到式（I）化合物及其药用可接受的盐，其中取代基如本文所述，并且它们在医学上用于治疗与调节钙释放激活钙（CRAC）通道相关的疾病、紊乱。该发明还涉及含有这种化合物的药物组合物，用于治疗与钙释放激活钙（CRAC）通道调节剂相关的疾病、紊乱。
• SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS
  申请人：LUPIN LIMITED

  公开号：US20160145268A1

  公开（公告）日：2016-05-26

  The invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine for the treatment of diseases, disorders associated with the modulation of calcium release-activated calcium (CRAC) channel. The invention also relates to pharmaceutical compositions containing such compounds in treating diseases disorders associated with calcium release-activated calcium (CRAC) channel modulators. wherein, ring D is Formula (a) or Formula (b): A and B, which may be same or different, are independently CR 3 or N; Y is CR 3 or N; L is selected from —NR 2 C(O)—, —C(O)NR 2 — and —NR 2 CR a R b —; R a and R b are independently hydrogen, halogen or substituted or unsubstituted alkyl; ring E is selected from the Formula (i) to (vii).

  该发明涉及式(I)的化合物及其药用可接受盐，其中取代基如本文所述，并且它们在医学上用于治疗与钙释放激活钙（CRAC）通道调节相关的疾病和紊乱。该发明还涉及含有这种化合物的药物组合物，用于治疗与钙释放激活钙（CRAC）通道调节剂相关的疾病和紊乱。其中，环D是式(a)或式(b)：A和B，可以相同也可以不同，分别独立地为CR3或N；Y为CR3或N；L选自—NR2C(O)—、—C(O)NR2—和—NR2CRaRb—；Ra和Rb独立地为氢、卤素或取代或未取代的烷基；环E选自式(i)至式(vii)。
• SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS
  申请人：LUPIN LIMITED

  公开号：US20150111900A1

  公开（公告）日：2015-04-23

  The present invention relates to compounds described herein Formula (I) and pharmaceutical acceptable salts thereof, which modulate the activity of calcium release-activated calcium (CRAC) channel. The invention also describes the compounds of Formula (I) and pharmaceutical compositions containing such compounds thereof for treating, managing, and/or lessening the severity of diseases, disorders, syndromes or conditions associated with the modulation of calcium release-activated calcium (CRAC) channel.

  本发明涉及描述为公式(I)的化合物及其药用可接受盐，其调节钙释放激活钙(CRAC)通道的活性。本发明还描述了公式(I)的化合物及含有该化合物的药物组合物，用于治疗、管理和/或减轻与调节钙释放激活钙(CRAC)通道相关的疾病、疾病、综合征或病症的严重程度。
• OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS
  申请人：Irlapati Nageswara Rao

  公开号：US20130225600A1

  公开（公告）日：2013-08-29

  The present invention relates to compounds of Formula (I) along with processes for their preparation that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions associated with the modulation of CRAC. The invention further relates to methods of treating, preventing managing and/or lessening the diseases, disorders, syndromes or conditions associated with the modulation of CRAC of Formula (I).

  本发明涉及式（I）的化合物及其制备方法，这些化合物对于治疗、预防和/或管理与CRAC调节相关的疾病、紊乱、综合症或状况是有用的。本发明还涉及使用式（I）的化合物治疗、预防、管理和/或减轻与CRAC调节相关的疾病、紊乱、综合症或状况的方法。