acide amino-2 chloro-5 indane carboxylique-2 | 74444-76-1

• 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: acide amino-2 chloro-5 indane carboxylique-2
• 英文别名: 2-Amino-5-chlorindan-2-carbonsaeure；2-amino-5-chloro-2,3-dihydro-1H-indene-2-carboxylic acid；2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid
• CAS: 74444-76-1
• 化学式: C₁₀H₁₀ClNO₂
• 分子量: 211.648
• InChiKey: HBEFHUVCZDCVQM-UHFFFAOYSA-N

物化性质

• 沸点：
  386.8±42.0 °C(Predicted)
• 密度：
  1.423±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (5-chloro-1-hydroxy-2,3-dihydro-1H-inden-2-yl) formate 在 barium dihydroxide 、 硫酸 、 水 、 碳酸氢铵 作用下， 以 乙醇 、 水 为溶剂， 反应 9.0h， 生成 acide amino-2 chloro-5 indane carboxylique-2
  参考文献：
  名称：

  Grouiller; Nioche; Barailler, European Journal of Medicinal Chemistry, 1980, vol. 15, # 2, p. 139 - 146

  摘要：

  DOI：

文献信息

• [EN] COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY<br/>[FR] COMPOSITION ET PROCÉDÉS D'UTILISATION DE NOUVEAUX PETITS COMPOSÉS ORGANIQUES DE PHÉNYLALANINE POUR MODULER DIRECTEMENT L'ACTIVITÉ DE LA PROTÉINE PCSK9
  申请人：PORTOLA PHARM INC

  公开号：WO2017034994A1

  公开（公告）日：2017-03-02

  This invention is related to the field of PCSK9 biology and the composition and methods of use of small organic compounds as ligands for modulation of PCSK9 biological activity. In particular, the invention provides compositions of small organic compounds that modulate circulating levels of low density lipoproteins by altering the conformation of the protein PCSK9. Binding these small organic compound ligands to PCSK9 alters the conformation of the protein, modifying 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 small organic compound ligands that can raise LDL levels.

  这项发明涉及PCSK9生物学领域以及小有机化合物作为调节PCSK9生物活性的配方和使用方法。具体来说，该发明提供了能够通过改变蛋白质PCSK9的构象来调节低密度脂蛋白的循环水平的小有机化合物组合。将这些小有机化合物配体与PCSK9结合会改变蛋白质的构象，改变PCSK9与内源性低密度脂蛋白受体之间的相互作用，可能导致循环LDL胆固醇水平降低或增加。高LDL胆固醇水平与心脏疾病风险增加相关。低LDL胆固醇水平在其他情况下可能会有问题，比如肝功能障碍；因此，开发能够提高LDL水平的小有机化合物配体也具有实用性。
• Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents
  申请人：UNIVERSITY OF MIAMI

  公开号：EP0048159A2

  公开（公告）日：1982-03-24

  Novel inhibitors of angiotensin converting enzyme are disclosed which have the general formula Wherein X = X, O or NR9, R4 and R5 form with -N-C- a 4-6 membered ring structure as described and the other R substituents are selected from a variety of disclosed groups.

  已公开的新型血管紧张素转换酶抑制剂具有通式 其中 X = X、O 或 NR9，R4 和 R5 与 -N-C- 形成所述的 4-6 分子环结构，其他 R 取代基选自已公开的各种基团。
• Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides
  申请人：Ryan, James Walter

  公开号：EP0073143A2

  公开（公告）日：1983-03-02

  Novel inhibitors of angiotensin converting enzyme are disclosed which have the general formula wherein R, and/or R3 form complex amides and imides thereof, X = S, O or NR3, R4 and Rs form with -N-C- a 4-6 membered ring structure as described and the other R substituents are selected from a variety of disclosed groups.

  已公开的新型血管紧张素转换酶抑制剂具有通式 其中 R 和/或 R3 形成其复合酰胺和亚胺，X = S、O 或 NR3，R4 和 Rs 与 -N-C- 形成所述的 4-6 分子环结构，其他 R 取代基选自各种已公开的基团。
• Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity
  申请人：SRX Cardio, LLC

  公开号：US10821106B2

  公开（公告）日：2020-11-03

  This invention is related to the field of PCSK9 biology and the composition and methods of use of small organic compounds as ligands for modulation of PCSK9 biological activity. In particular, the invention provides compositions of small organic compounds that modulate circulating levels of low density lipoproteins by altering the conformation of the protein PCSK9. Binding these small organic compound ligands to PCSK9 alters the conformation of the protein, modifying 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 small organic compound ligands that can raise LDL levels.

  本发明涉及 PCSK9 生物学领域以及小分子有机化合物作为配体用于调节 PCSK9 生物活性的组合物和使用方法。特别是，本发明提供了通过改变蛋白质 PCSK9 的构象来调节低密度脂蛋白循环水平的小分子有机化合物组合物。将这些小分子有机化合物配体与 PCSK9 结合可改变该蛋白的构象，改变 PCSK9 与内源性低密度脂蛋白受体之间的相互作用，并可导致循环中低密度脂蛋白胆固醇水平的降低或升高。低密度脂蛋白胆固醇水平高与心脏病风险增加有关。低密度脂蛋白胆固醇水平低可能会对肝功能障碍等其他疾病造成困扰；因此，能提高低密度脂蛋白水平的小分子有机化合物配体也很有用。
• COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY
  申请人：SRX Cardio, LLC

  公开号：US20210236481A1

  公开（公告）日：2021-08-05

  This invention is related to the field of PCSK9 biology and the composition and methods of use of small organic compounds as ligands for modulation of PCSK9 biological activity. In particular, the invention provides compositions of small organic compounds that modulate circulating levels of low density lipoproteins by altering the conformation of the protein PCSK9. Binding these small organic compound ligands to PCSK9 alters the conformation of the protein, modifying 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 small organic compound ligands that can raise LDL levels.