5-[(2S)-2-oxiranylmethoxy]isoquinoline | 129717-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 5-[(2S)-2-oxiranylmethoxy]isoquinoline
• 英文别名: 5-(Oxiran-2-ylmethoxy)isoquinoline
• CAS: 129717-29-9
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: HQMJNOFHNIQORU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  34.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[(2S)-2-oxiranylmethoxy]isoquinoline 、 4-[3-(4-Amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol 以 乙醇 为溶剂， 生成 2,6-Ditert-butyl-4-[3-[4-[(2-hydroxy-3-isoquinolin-5-yloxypropyl)amino]phenoxy]propyl]phenol
  参考文献：
  名称：

  New series of aryloxypropanolamines with both human β3-adrenoceptor agonistic activity and free radical scavenging properties

  摘要：

  A series of 13 novel hybrid molecules designed to possess both free radical scavenging activity and to stimulate the beta(3)-adrenoceptors in order to improve antidiabetic effect and to restore insulin sensitivity was synthesized and evaluated. Compounds were of quinolyl-, isoquinolyl-, pyridoindolyl- or carbazolyloxypropanolamine structure with a terminal amino group of benzopyranolyl-. di-tert-butylphenolyl- or methoxyindolyl- type. Some of the products possessed both the expected activities. (C) 2002 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00716-8
• 作为产物：
  描述：

  5-羟基异喹啉 在 potassium carbonate 作用下， 以 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到5-[(2S)-2-oxiranylmethoxy]isoquinoline
  参考文献：
  名称：

  Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists

  摘要：

  这项发明涉及新型二取代氨甲基色苷衍生物，可用于治疗β-3受体介导的疾病。

  公开号：

  US20030078258A1

文献信息

• Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors
  申请人：——

  公开号：US20040029889A1

  公开（公告）日：2004-02-12

  Novel compounds of the general formula (I): and pharmaceutically acceptable acid addition salts thereof, wherein the compounds are useful in therapy to protect skeletal muscles against damage resulting from trauma or to protect skeletal muscles subsequent to muscle or systemic diseases such as intermittent claudication, to treat shock conditions, to preserve donor tissue and organs used in transplants, in the treatment of cardiovascular diseases including atrial and ventricular arrhythmias, Prinzmetal's (variant) angina, stable angina, and exercise induced angina, congestive heart disease, and myocardial infarction. 1

  一般式（I）的新化合物及其药物可接受的酸盐，其中这些化合物在治疗中对保护骨骼肌免受创伤引起的损伤或在肌肉或全身疾病（如间歇性跛行）后保护骨骼肌，治疗休克病状，保存用于移植的供体组织和器官，在治疗心血管疾病包括心房和心室心律失常，普林兹梅塔尔（变异）心绞痛，稳定型心绞痛和运动性心绞痛，充血性心力衰竭和心肌梗死方面有用。
• Heteroaryl alkyl piperazine derivatives
  申请人：——

  公开号：US20040192702A1

  公开（公告）日：2004-09-30

  Novel compounds of the general formula: 1 and pharmaceutically acceptable acid addition salts thereof, wherein the compounds are useful in therapy to protect skeletal muscles against damage resulting from trauma or to protect skeletal muscles subsequent to muscle or systemic diseases such as intermittent claudication, to treat shock conditions, to preserve donor tissue and organs used in transplants, in the treatment of diabetes, in the treatment of cardiovascular diseases including atrial and ventricular arrhythmias, Prinzmetal's (variant) angina, stable angina, and exercise induced angina, congestive heart disease, and myocardial infarction.

  一般式为1的新化合物及其药学上可接受的酸盐，其中这些化合物在治疗中有用于保护骨骼肌免受创伤引起的损伤，或在肌肉或全身性疾病（如间歇性跛行）后保护骨骼肌，用于治疗休克状态，保护供体组织和器官用于移植，治疗糖尿病，治疗心血管疾病（包括心房和心室心律失常、普林兹梅塔尔氏（变异型）心绞痛、稳定型心绞痛和运动诱发型心绞痛、充血性心力衰竭和心肌梗塞）。
• Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0363212B1

  公开（公告）日：1995-01-04
• HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1339701A1

  公开（公告）日：2003-09-03
• US5112817A
  申请人：——

  公开号：US5112817A

  公开（公告）日：1992-05-12