2-(tert-butyl) 3-methyl 5-bromo-8-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate | 370881-38-2

• 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: 2-(tert-butyl) 3-methyl 5-bromo-8-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate
• 英文别名: 2-O-tert-butyl 3-O-methyl 5-bromo-8-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
• CAS: 370881-38-2
• 化学式: C₁₆H₂₀BrNO₅
• 分子量: 386.243
• InChiKey: QUHOIXDOXBSMIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(tert-butyl) 3-methyl 5-bromo-8-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate 在 palladium on activated charcoal 四(三苯基膦)钯 、 氢气 、 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 反应 24.0h， 生成 8-(3-Trifluoromethyl-phenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester
  参考文献：
  名称：

  The scope and limitations of the Suzuki–Miyaura cross-coupling reactions of 6- and 8-substituted 1,2,3,4-tetrahydroisoquinoline-3-carboxylates

  摘要：

  6- and 8-Aryl-1,2,3,4-tetrahydroisoqinoline-3-carboxylates have been prepared by Suzuki-Miyaura cross-coupling reactions of the triflates or corresponding boronate esters. We have shown for the first time that a one-pot arylation of a triflate via the boronate ester can be achieved using an aryl chloride. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01132-7
• 作为产物：
  描述：

  5-bromo-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 在 氯化亚砜 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 2-(tert-butyl) 3-methyl 5-bromo-8-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9)
  [FR] COMPOSÉS SE LIANT À LA PROPROTÉINE CONVERTASE SUBTILISINE/KEXINE DE TYPE 9 (PCSK9)

  摘要：

  本公开涉及与PCSK9结合的新化合物、方法和组合物，从而调节PCSK9前蛋白酶酶活性。本公开的化合物包括化合物式（I）。

  公开号：

  WO2017147328A1

文献信息

• Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors
  申请人：Thompson Lorin A.

  公开号：US20080153868A1

  公开（公告）日：2008-06-26

  There is provided a series of tetrahydroisoquinoline diaminopropane compounds of Formula (I) or a stereoisomer; or a pharmaceutically acceptable salt thereof, wherein R, R 8 and R 9 are as defined herein, their pharmaceutical compositions and methods of use. These compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  提供一系列Formula (I)的四氢异喹啉二氨基丙烷化合物或其立体异构体；或其药学上可接受的盐，其中R，R8和R9如本文所定义，它们的药物组合物和使用方法。这些化合物抑制β-分泌酶对淀粉样前体蛋白（APP）的加工，更具体地说，抑制Aβ肽的产生。本公开涉及用于治疗与β-淀粉样蛋白产生相关的神经系统疾病的化合物，如阿尔茨海默病和其他受抗淀粉样活性影响的疾病。
• COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9)
  申请人：Portola Pharmaceuticals, Inc.

  公开号：US20190119236A1

  公开（公告）日：2019-04-25

  The present disclosure relates to novel compounds, methods, and compositions capable of binding to PCSK9, thereby modulating PCSK9 proprotein convertase enzyme activity. The compounds of the disclosure include compounds Formula (I).
• COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9
  申请人：SRX Cardio, LLC

  公开号：US20210032214A1

  公开（公告）日：2021-02-04

  The present disclosure relates to novel compounds, methods, and compositions capable of binding to PCSK9, thereby modulating PCSK9 proprotein convertase enzyme activity. The compounds of the disclosure include compounds Formula (I).
• US7902218B2
  申请人：——

  公开号：US7902218B2

  公开（公告）日：2011-03-08
• [EN] COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9)<br/>[FR] COMPOSÉS SE LIANT À LA PROPROTÉINE CONVERTASE SUBTILISINE/KEXINE DE TYPE 9 (PCSK9)
  申请人：PORTOLA PHARM INC

  公开号：WO2017147328A1

  公开（公告）日：2017-08-31

  The present disclosure relates to novel compounds, methods, and compositions capable of binding to PCSK9, thereby modulating PCSK9 proprotein convertase enzyme activity. The compounds of the disclosure include compounds Formula (I).

  本公开涉及与PCSK9结合的新化合物、方法和组合物，从而调节PCSK9前蛋白酶酶活性。本公开的化合物包括化合物式（I）。