(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)propan-2-yl]propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)propan-2-yl]propanamide
• 化学式: C₂₃H₂₄N₈O₄
• 分子量: 476.5
• InChiKey: VPDHKKSHGPVSCG-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  178
• 氢给体数：
  6
• 氢受体数：
  7

文献信息

• [EN] PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) ALLOSTERIC BINDING LIGANDS TO MUDULATE SERUM LOW DENSITY LIPOPROTEIN (LDL) LEVELS<br/>[FR] LIGANDS DE LIAISON ALLOSTÉRIQUES DE LA PROPROTÉINE CONVERTASE SUBTILISINE/KEXINE DE TYPE 9 (PCSK9) UTILISABLES EN VUE DE LA MODULATION DES NIVEAUX SÉRIQUES DE LIPOPROTÉINES DE BASSE DENSITÉ (LDL)
  申请人：SRX CARDIO LLC

  公开号：WO2014127316A2

  公开（公告）日：2014-08-21

  This invention is related to the field of hypercholesterolemia. In particular, the invention provides compositions and methods to modulate circulating levels of low density lipoproteins by altering the conformation of the protein PCSK9 using synthetic ligands and/or synthetic ligand derivative sequences of 3-8 amino acids ranging between 350 - 2,000 Da. Altering the conformation of PCSK9 affects the interaction between PCSK9 and an endogenous low density lipoprotein receptor, and can lead to reduced or increased levels of circulating LDL-cholesterol. High LDL-cholesterol levels are associated with increased risk for heart disease. Low LDL-cholesterol levels may be problematic in other conditions, such as liver dysfunction; thus, there is also utility for ligands which can raise LDL levels.