2,6-difluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide | 903522-11-2

• 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: 2,6-difluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
• 英文别名: 2,6-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
• CAS: 903522-11-2
• 化学式: C₁₉H₂₀BF₂NO₃
• 分子量: 359.181
• InChiKey: FDTYELVFENXMJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-difluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide 在 bis-triphenylphosphine-palladium(II) chloride 盐酸羟胺 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 25.0h， 生成 2,6-difluoro-N-(5'-((hydroxyimino)methyl)-2'-methyl-[1,1'-biphenyl]-4-yl)benzamide
  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 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 2,6-difluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
  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

• [EN] SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRIDINE EN TANT QUE MODULATEURS DE CRAC
  申请人：LUPIN LTD

  公开号：WO2013164769A1

  公开（公告）日：2013-11-07

  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.

  本发明涉及式(I)描述的化合物以及其中医药可接受的盐，这些化合物能够调节钙释放激活钙(CRAC)通道的活性。该发明还描述了式(I)的化合物以及包含这些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)通道相关联的疾病、障碍、综合征或状况的严重性。
• [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。
• [EN] COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES<br/>[FR] COMPOSÉS POUR DES UTILISATIONS LIÉES À UNE INFLAMMATION ET AU SYSTÈME IMMUNITAIRE
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2010039238A1

  公开（公告）日：2010-04-08

  The invention relates to certain compounds according to Formula (I) : or pharmaceutically acceptable salts thereof, that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders and immune disorders.

  这项发明涉及到某些符合以下式（I）的化合物：或其药学上可接受的盐，这些化合物可用作免疫抑制剂，用于治疗和预防炎症症状、过敏性疾病和免疫性疾病。
• Compounds for inflammation and immune-related uses
  申请人：Sun Lijun

  公开号：US20060173006A1

  公开（公告）日：2006-08-03

  The invention relates to compounds of structural formulas (I), (VII) and (XI): or a pharmaceutically acceptable salt, solvate, clathrate, or prodrug thereof, wherein X 1 , X 2 , X 3 , Y, Z, L, R 1 , R 2 , R 3 , R 18 and n are defined herein. These compounds are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.

  这项发明涉及结构式(I)、(VII)和(XI)的化合物： 或其药学上可接受的盐、溶剂合物、包合物或前药，其中X 1 、X 2 、X 3 、Y、Z、L、R 1 、R 2 、R 3 、R 18 和n在此处被定义。这些化合物可用作免疫抑制剂，并用于治疗和预防炎症性疾病、过敏性疾病和免疫性疾病。
• 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)。