(R)-tert-butyl 3-(3-methylbenzoyl)piperidine-1-carboxylate | 942143-08-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-tert-butyl 3-(3-methylbenzoyl)piperidine-1-carboxylate
• 英文别名: tert-butyl (3R)-3-(3-methylbenzoyl)piperidine-1-carboxylate
• CAS: 942143-08-0
• 化学式: C₁₈H₂₅NO₃
• 分子量: 303.401
• InChiKey: HMXZUHCQSFELGO-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-tert-butyl 3-(3-methylbenzoyl)piperidine-1-carboxylate 在 (R)-2-甲基-CBS-恶唑硼烷 、 儿萘酚硼烷 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Optimization of orally bioavailable alkyl amine renin inhibitors

  摘要：

  Structure-guided drug design led to new alkylamine renin inhibitors with improved in vitro and in vivo potency. Lead compound 21a, has an IC50 of 0.83 nM for the inhibition of human renin in plasma (PRA). Oral administration of 21a at 10 mg/kg resulted in >20 h reduction of blood pressure in a double transgenic rat model of hypertension. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.066
• 作为产物：
  描述：

  (3R)-3-[(甲氧基甲基氨基)羰基]-1-哌啶羧酸 1,1-二甲基乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 生成 (R)-tert-butyl 3-(3-methylbenzoyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Design and optimization of renin inhibitors: Orally bioavailable alkyl amines

  摘要：

  Structure-based drug design led to the identification of a novel class of potent, low MW alkylamine renin inhibitors. Oral administration of lead compound 21l, with MW of 508 and IC(50) of 0.47 nM, caused a sustained reduction in mean arterial blood pressure in a double transgenic rat model of hypertension. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.140

文献信息

• Piperidine derivatives as renin inhibitors
  申请人：Baldwin John J.

  公开号：US20090318501A1

  公开（公告）日：2009-12-24

  The present invention is directed to aspartic protease inhibitors represented by the following structural formula; or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the aspartic protease inhibitors of Structural Formula (I). Methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using these aspartic protease inhibitors are also disclosed.

  本发明涉及以下结构式所表示的天冬氨酸蛋白酶抑制剂; 或其药学上可接受的盐。本发明还涉及包括结构式（I）的天冬氨酸蛋白酶抑制剂的制药组合物。本发明还揭示了在需要拮抗一种或多种天冬氨酸蛋白酶的主体中拮抗一种或多种天冬氨酸蛋白酶的方法，以及使用这些天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• Aspartic Protease Inhibitors
  申请人：Baldwin John J.

  公开号：US20100048636A1

  公开（公告）日：2010-02-25

  The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

  本发明涉及天冬氨酸蛋白酶抑制剂。本发明所述的某些天冬氨酸蛋白酶抑制剂可以用以下结构式或其药学上可接受的盐来表示。本发明还涉及包括所述天冬氨酸蛋白酶抑制剂的药物组合物。本发明还涉及在需要拮抗一种或多种天冬氨酸蛋白酶的主体中的方法，以及使用所述天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors
  申请人：Baldwin John J.

  公开号：US08487108B2

  公开（公告）日：2013-07-16

  The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

  本发明涉及天冬氨酸蛋白酶抑制剂。本发明的某些天冬氨酸蛋白酶抑制剂可以用以下结构式或其药学上可接受的盐来表示。本发明还涉及包含所述天冬氨酸蛋白酶抑制剂的制药组合物。本发明还涉及在需要拮抗一种或多种天冬氨酸蛋白酶的受体的主体中的方法，以及使用所述天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• WO2007/70201
  申请人：——

  公开号：——

  公开（公告）日：——
• ASPARTIC PROTEASE INHIBITORS
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP1966139B1

  公开（公告）日：2011-12-21