(2S)-3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2S)-3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.33
• InChiKey: RLUGDEGUWWOARD-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11008313B2

  公开（公告）日：2021-05-18

  The present invention relates to PCSK9 allosteric binding compounds of Formula I: (Formula (I)) and pharmaceutically acceptable salts thereof, wherein X1, X2, Y, R1, R2, RA, RB and n are as defined herein. The present invention also relates to compositions which comprise an allosteric binding compound of the invention or a pharmaceutically acceptable salt thereof and a pharmaceutically acceptable carrier. The invention further relates, inter alia, to methods for inducing PCSK9 protein degradation in a subject, and methods for treating atherosclerosis, hypercholesterolemia, coronary heart disease, metabolic syndrome, acute coronary syndrome, or related cardiovascular disease and cardiometabolic conditions, comprising administering to a subject an effective amount of a compound or a pharmaceutically acceptable salt of the invention. The invention also provides a means for the in vitro labeling, detection and/or quantification of PCSK9 in biological samples.

  本发明涉及式 I 的 PCSK9 异源结合化合物：（式 (I)）及其药学上可接受的盐，其中 X1、X2、Y、R1、R2、RA、RB 和 n 如本文所定义。本发明还涉及包含本发明的异构结合化合物或其药学上可接受的盐和药学上可接受的载体的组合物。本发明进一步涉及诱导受试者体内 PCSK9 蛋白降解的方法，以及治疗动脉粥样硬化、高胆固醇血症、冠心病、代谢综合征、急性冠脉综合征或相关心血管疾病和心脏代谢疾病的方法，包括向受试者施用有效量的本发明化合物或其药学上可接受的盐。本发明还提供了一种体外标记、检测和/或量化生物样本中 PCSK9 的方法。
• SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200369657A1

  公开（公告）日：2020-11-26

  The present invention relates to PCSK9 allosteric binding compounds of Formula I: (Formula (I)) and pharmaceutically acceptable salts thereof wherein X 1 , X 2 , Y, R 1 , R 2 , R A , R B and n are as defined herein. The present invention also relates to compositions which comprise an allosteric binding compound of the invention or a pharmaceutically acceptable salt thereof and a pharmaceutically acceptable carrier. The invention further relates, inter alia, to methods for inducing PCSK9 protein degradation in a subject, and methods for treating atherosclerosis, hypercholesterolemia, coronary heart disease, metabolic syndrome, acute coronary syndrome, or related cardiovascular disease and cardiometabolic conditions, comprising administering to a subject an effective amount of a compound or a pharmaceutically acceptable salt of the invention. The invention also provides a means for the in vitro labeling, detection and/or quantification of PCSK9 in biological samples.