4-(benzo[b]thiophen-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester | 1189121-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(benzo[b]thiophen-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
• CAS: 1189121-49-0
• 化学式: C₁₈H₂₄N₂O₂S
• 分子量: 332.467
• InChiKey: KWHSIWLVLUCTDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(benzo[b]thiophen-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester 、 溴甲苯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 生成
  参考文献：
  名称：

  Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors

  摘要：

  A variety of novel aminoheterocycle scaffolds as selective monoamine reuptake inhibitors have been prepared and one of these scaffolds is achiral. The main elements responsible for hERG channel, CYP2D6 and CYP3A4 inhibition were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.076
• 作为产物：
  描述：

  5-氨基苯并噻吩 、 N-叔丁氧羰基-4-哌啶酮 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 4-(benzo[b]thiophen-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors

  摘要：

  A variety of novel aminoheterocycle scaffolds as selective monoamine reuptake inhibitors have been prepared and one of these scaffolds is achiral. The main elements responsible for hERG channel, CYP2D6 and CYP3A4 inhibition were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.076

文献信息

• AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF
  申请人：Iyer Pravin

  公开号：US20090247568A1

  公开（公告）日：2009-10-01

  This application discloses aminopiperidinyl compounds of generic Formulae I-II: or pharmaceutically acceptable salts thereof, wherein m, r, Q 1 , Q 2 , Q 3 , R, R a , R 1 , R 2a , R 2b , and R 3 are defined as described herein, useful for treatment of diseases associated with monoamine reuptake inhibitors. Also provided are pharmaceutical compositions, methods of using, and methods of preparing the compounds.

  本申请公开了一种氨基哌啶基化合物，其通用化学式为I-II：或其药用可接受盐，其中m、r、Q1、Q2、Q3、R、Ra、R1、R2a、R2b和R3的定义如本文所述，用于治疗与单胺再摄取抑制剂相关的疾病。还提供了药物组合物、使用方法和化合物制备方法。
• US8093285B2
  申请人：——

  公开号：US8093285B2

  公开（公告）日：2012-01-10
• Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors
  作者：Matthew C. Lucas、David S. Carter、Hai-Ying Cai、Eun Kyung Lee、Ryan C. Schoenfeld、Sandra Steiner、Marzia Villa、Robert J. Weikert、Pravin S. Iyer

  DOI：10.1016/j.bmcl.2009.06.076

  日期：2009.8

  A variety of novel aminoheterocycle scaffolds as selective monoamine reuptake inhibitors have been prepared and one of these scaffolds is achiral. The main elements responsible for hERG channel, CYP2D6 and CYP3A4 inhibition were identified. (C) 2009 Elsevier Ltd. All rights reserved.