N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-yl)-2,6-difluorobenzamide | 1373938-01-2

• 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-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-yl)-2,6-difluorobenzamide
• 英文别名: N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazine-2-yl)-2,6-difluorobenzamide；N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
• CAS: 1373938-01-2
• 化学式: C₂₃H₁₈F₂N₄O₃
• 分子量: 436.418
• InChiKey: KIRGYLPPCCUTOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  93.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-yl)-2,6-difluorobenzamide 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 0.17h， 生成 N-(5-(5-(5,5-dimethyl-4-hydroxy-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazine-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
• 作为产物：
  描述：

  2,6-二氟苯甲酰氯 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 25.0h， 生成 N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-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

文献信息

• 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。
• OXAZOLE AND ISOXAZOLE CRAC MODULATORS
  申请人：LUPIN LIMITED

  公开号：US20160022673A1

  公开（公告）日：2016-01-28

  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).

  本发明涉及公式（I）的化合物及其制备方法，用于治疗、预防和/或管理与CRAC调节相关的疾病、疾病、综合征或病况。本发明还涉及使用公式（I）的方法来治疗、预防、管理和/或减轻与CRAC调节相关的疾病、疾病、综合征或病况。
• Oxazoline and isoxazoline derivatives as CRAC modulators
  申请人：LUPIN LIMITED

  公开号：US10292981B2

  公开（公告）日：2019-05-21

  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）化合物、 及其制备工艺，可用于治疗、预防和/或控制与调节 CRAC 有关的疾病、失调、综合征或病症。本发明进一步涉及治疗、预防、控制和/或减轻与式（I）的 CRAC 调节相关的疾病、失调、综合症或病症的方法。
• US9169242B2
  申请人：——

  公开号：US9169242B2

  公开（公告）日：2015-10-27
• US9737534B2
  申请人：——

  公开号：US9737534B2

  公开（公告）日：2017-08-22