3-[(4-Methoxyphenyl)thio]-2-methylbutanoic acid | 1027205-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[(4-Methoxyphenyl)thio]-2-methylbutanoic acid
• 英文别名: 3-(4-methoxyphenyl)sulfanyl-2-methylbutanoic acid
• CAS: 1027205-91-9
• 化学式: C₁₂H₁₆O₃S
• 分子量: 240.32
• InChiKey: DUDKDGSKCUHXOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• RYANODINE CHANNEL BINDERS AND USES THEREOF
  申请人：Corey Elias James

  公开号：US20110263569A1

  公开（公告）日：2011-10-27

  Increasing the affinity of calstabin-2 for the cardiac calcium channel RyR2 and thereby stabilizing the channel in the closed state has recently been identified as novel mechanism for treating heart failure, particularly ventricular arrhythmias. JTV-519, a 1,4-benzothiazepine derivative, has been shown to stabilize the calstabin2/RyR2 complex. Novel derivatives of JTV-519 that may be useful in treatment or prevention of heart failure, atrial fibrillation, or exercise-induced cardiac arrhythmias are provided. Synthetic methodology and intermediates in the synthesis of the inventive JTV-519 derivatives are also described.

  增加calstabin-2与心脏钙通道RyR2之间的亲和力，从而稳定通道处于关闭状态，最近被确认为治疗心力衰竭、特别是心室心律失常的新机制。已经证明，1,4-苯并噻唑衍生物JTV-519可以稳定calstabin2/RyR2复合物。提供了JTV-519的新衍生物，这些衍生物可能在治疗或预防心力衰竭、心房颤动或运动引起的心律失常中有用。还描述了创新JTV-519衍生物的合成方法和中间体。
• [EN] RYANODINE CHANNEL BINDERS AND USES THEREOF<br/>[FR] LIANTS AUX CANAUX DE LA RYANODINE ET LEURS UTILISATIONS
  申请人：HARVARD COLLEGE

  公开号：WO2009026444A1

  公开（公告）日：2009-02-26

  Increasing the affinity of calstabin-2 for the cardiac calcium channel RyR2 and thereby stabilizing the channel in the closed state has recently been identified as as novel mechanism for treating heart failure, particularly ventricular arrhythmias. JTV-519, a 1,4- benzothiazepine derivative, has been shown to stabilize the calstabin2/RyR2 complex. Novel derivatives of JTV-519 that may be useful in treatment or prevention of heart failure, atrial fibrillation, or exericse-induced cardiac arrhythmias are provided. Synthetic methodology and intermediates in the synthesis of the inventive JTV-519 derivatives are also described.