1-(4-bromopyridin-2-yl)-2-fluoroethan-1-one | 1404489-43-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-bromopyridin-2-yl)-2-fluoroethan-1-one
• 英文别名: 1-(4-bromopyridin-2-yl)-2-fluoroethanone
• CAS: 1404489-43-5
• 化学式: C₇H₅BrFNO
• 分子量: 218.025
• InChiKey: UIFBPPQXPTVSBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.96
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(4-bromopyridin-2-yl)-2-fluoroethan-1-one 在 三异丙氧基氯化钛 、 盐酸 、 titanium(IV) tetraethanolate 、 锂硼氢 、 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 为溶剂， 反应 11.25h， 生成 N-[[(2S)-2-(4-Bromopyridin-2-yl)-1-fluoro-4-hydroxybutan-2-yl]carbamothioyl]benzamide
  参考文献：
  名称：

  EP2703401

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS<br/>[FR] TÉTRAHYDROFURAN-2-CARBOXAMIDES SUBSTITUÉS UTILES EN TANT QUE MODULATEURS DE CANAUX SODIQUES
  申请人：VERTEX PHARMA

  公开号：WO2022256702A1

  公开（公告）日：2022-12-08

  Compounds of formula I and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

  提供了可用作钠通道抑制剂的式 I 化合物及其药学上可接受的盐。还提供了包含这些化合物或药学上可接受的盐的药物组合物，以及使用这些化合物、药学上可接受的盐和药物组合物治疗各种疾病（包括疼痛）的方法。
• PYRIDINE DERIVATIVE AND BACE-1 INHIBITOR CONTAINING SAME
  申请人：Shionogi & Co., Ltd.

  公开号：EP2703401A1

  公开（公告）日：2014-03-05

  The present invention provides a compound of formula (I): wherein ring B is substituted or unsubstituted carbocycle or heterocycle, R1 is substituted or unsubstituted alkyl or the like, R2a and R2b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R3, R4a and R4b are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, a dashed line represents a presence or absence of a bond, R5 is hydrogen, substituted or unsubstituted alkyl or the like, R6 is halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.

  本发明提供了一种式 (I) 的化合物： 其中环 B 是取代或未取代的碳环或杂环、 R1 是取代或未取代的烷基或类似物、 R2a 和 R2b 各自独立地为氢、取代或未取代的烷基或类似物、 R3、R4a 和 R4b 各自独立地为氢、卤素、取代或未取代的烷基或类似物，虚线表示存在或不存在键、 R5 是氢、取代或未取代的烷基或类似物、 R6 是卤素、羟基、取代或未取代的烷基或类似物、 p 是 0 至 3 的整数、 或其药学上可接受的盐，该盐具有抑制淀粉样蛋白 β 生成的作用，特别是抑制 BACE1 的作用，可用作治疗或预防由淀粉样蛋白 β 生成、分泌和/或沉积诱发的疾病的药物。
• PYRIDINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM
  申请人：Tada Yukio

  公开号：US20140235626A1

  公开（公告）日：2014-08-21

  The present invention provides a compound of formula (I): wherein ring B is substituted or unsubstituted carbocycle or heterocycle, R 1 is substituted or unsubstituted alkyl or the like, R 2a and R 2b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R 3 , R 4a and R 4b are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, a dashed line represents a presence or absence of a bond, R 5 is hydrogen, substituted or unsubstituted alkyl or the like, R 6 is halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.