(2R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-methylpiperazine | 1238951-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-methylpiperazine
• 英文别名: (R)-tert-butyl-4-(3-methoxyphenyl)-3-methylpiperazine-1-carboxylate；tert-butyl (3R)-4-(3-methoxyphenyl)-3-methylpiperazine-1-carboxylate
• CAS: 1238951-40-0
• 化学式: C₁₇H₂₆N₂O₃
• 分子量: 306.405
• InChiKey: GXFJMXQNKXNDRP-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-methylpiperazine 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-[(2R)-2-methylpiperazin-1-yl]phenol
  参考文献：
  名称：

  1-Substituted 4-(3-Hydroxyphenyl)piperazines Are Pure Opioid Receptor Antagonists

  摘要：

  This report describes the discovery that 1-substituted 4-(3-hydroxy-phenyl)piperazines are pure opioid receptor antagonists. Compounds in this new series include N-phenylpropyl (3S)-3-methyl-4-(3-hydroxyphenyl)piperazine and (3R)-3-methyl-4-(3-hydroxyphenyl)piperazine both of which display low nanomolar potencies at mu, delta and kappa receptors and pure antagonist properties in a[(35)S]GTP gamma S assay.

  DOI：

  10.1021/ml100126b
• 作为产物：
  描述：

  间溴苯甲醚 、 (R)-4-Boc-2-甲基哌嗪 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 为溶剂， 以1.3 g的产率得到(2R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-methylpiperazine
  参考文献：
  名称：

  一种杂环衍生物及其药物组合物、应用

  摘要：

  本发明公开了一种式(I)所示结构的杂环衍生物或其立体异构体、药学上可接受的盐。该杂环衍生物或其立体异构体抑制HCMV的活性很高，和莱特莫韦相比，活性提高8‑40倍的范围，在临床上可以更好的保护异体造血干细胞移植、肾移植、肺移植后HCMV病毒感染的患者。#imgabs0#

  公开号：

  CN117229223A

文献信息

• ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS
  申请人：Carroll Frank I.

  公开号：US20120295919A1

  公开（公告）日：2012-11-22

  Provided are opioid receptor antagonists represented by the formula (I) where R, Y 3 , R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein.

  提供的阿片受体拮抗剂由式（I）表示，其中R、Y3、R1、R2、R3、R4和R5如本文所定义。
• Anti-HCMV virus compound
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US10851112B2

  公开（公告）日：2020-12-01

  Disclosed are a class of fused cyclic compounds against the HCMV virus, and use thereof in the preparation of a drugs for treating diseases associated with the HCMV virus. In particular, disclosed is the compound shown in formula (II) and pharmaceutically acceptable salts thereof.

  本发明公开了一类抗 HCMV 病毒的融合环状化合物及其在制备治疗 HCMV 病毒相关疾病的药物中的用途。特别是公开了式 (II) 所示的化合物及其药学上可接受的盐类。
• Discovery of <i>N</i>-{4-[(3-Hydroxyphenyl)-3-methylpiperazin-1-yl]methyl-2-methylpropyl}-4-phenoxybenzamide Analogues as Selective Kappa Opioid Receptor Antagonists
  作者：Chad M. Kormos、Chunyang Jin、Juan Pablo Cueva、Scott P. Runyon、James B. Thomas、Lawrence E. Brieaddy、S. Wayne Mascarella、Hernán A. Navarro、Brian P. Gilmour、F. Ivy Carroll

  DOI：10.1021/jm400275h

  日期：2013.6.13

  There is continuing interest in the discovery and development of new kappa opioid receptor antagonists. We recently reported that N-substituted 3-methyl-4-(3-hydroxyphenyl)piperazines were a new class of opioid receptor antagonists. In this study, we report the syntheses of two piperazine JDTic-like analogues. Evaluation of the two compounds in an in vitro [S-35]GTP gamma S binding assay showed that neither compound showed the high potency and kappa opioid receptor selectivity of JDTic. A library of compounds using the core scaffold 21 was synthesized and tested for their ability to inhibit [S-35]GTP gamma S binding stimulated by the selective kappa opioid agonist U69,593. These studies led to N-[(1S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]methyll-2-methylpropyl]-4-phenoxybenzamide (11a), a compound that showed good kappa opioid receptor antagonist properties. An SAR study based on 11a provided 28 novel analogues. Evaluation of these 28 compounds in the [S-35]GTP gamma S binding assay showed that several of the analogues were potent and selective kappa opioid receptor antagonists.
• ANTI-HCMV VIRUS COMPOUND
  申请人：Medshine Discovery Inc.

  公开号：EP3498715B1

  公开（公告）日：2021-06-09
• US9273027B2
  申请人：——

  公开号：US9273027B2

  公开（公告）日：2016-03-01