1-tert-butoxycarbonyl-4-{4-[1(S)-(4-bromophenyl)-ethyl]-3(R)-methylpiperazin-1-yl}-piperidine | 203186-29-2

• 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: 1-tert-butoxycarbonyl-4-{4-[1(S)-(4-bromophenyl)-ethyl]-3(R)-methylpiperazin-1-yl}-piperidine
• 英文别名: 1-tert-butoxycarbonyl-4-{4-[1 (S)-(4-bromophenyl)-ethyl]-3(R)-methylpiperazin-1-yl}-piperidine；tert-butyl 4-[(3R)-4-[(1S)-1-(4-bromophenyl)ethyl]-3-methylpiperazin-1-yl]piperidine-1-carboxylate
• CAS: 203186-29-2
• 化学式: C₂₃H₃₆BrN₃O₂
• 分子量: 466.462
• InChiKey: HUSMPKZBAOSVGH-MSOLQXFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-tert-butoxycarbonyl-4-{4-[1(S)-(4-bromophenyl)-ethyl]-3(R)-methylpiperazin-1-yl}-piperidine 在 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and structure–Activity relationships of M2-Selective muscarinic receptor ligands in the 1-[4-(4-Arylsulfonyl)-phenylmethyl]-4-(4-piperidinyl)-piperazine family

  摘要：

  The synthesis and muscarinic binding properties of compounds based on the 1-[4-(4-arylsulfonyl)phenylmethyl]-4-(1aroyl-4-piperidinyl)-piperazine skeleton are described. For Compounds. substituted with appropriately configured methyl groups at the benzylic center and at the piperazine 2-position. high levels of selective, M-2 subtype affinity could be obtained. particularly when the terminal N-aroyl residue was ortho-substituted. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00024-0
• 作为产物：
  描述：

  (S)-(-)-1-(4-溴苯)乙胺 在 三氟化硼乙醚 、 氨 、 三乙酰氧基硼氢化钠 、 potassium carbonate 、 sodium iodide 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 、 二甲基亚砜 、 1,2-二氯乙烷 为溶剂， 反应 64.0h， 生成 1-tert-butoxycarbonyl-4-{4-[1(S)-(4-bromophenyl)-ethyl]-3(R)-methylpiperazin-1-yl}-piperidine
  参考文献：
  名称：

  Synthesis and structure–Activity relationships of M2-Selective muscarinic receptor ligands in the 1-[4-(4-Arylsulfonyl)-phenylmethyl]-4-(4-piperidinyl)-piperazine family

  摘要：

  The synthesis and muscarinic binding properties of compounds based on the 1-[4-(4-arylsulfonyl)phenylmethyl]-4-(1aroyl-4-piperidinyl)-piperazine skeleton are described. For Compounds. substituted with appropriately configured methyl groups at the benzylic center and at the piperazine 2-position. high levels of selective, M-2 subtype affinity could be obtained. particularly when the terminal N-aroyl residue was ortho-substituted. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00024-0

文献信息

• MCH antagonists for the treatment of obesity
  申请人：Palani Anandan

  公开号：US20050004121A1

  公开（公告）日：2005-01-06

  The present invention discloses methods of using antagonists for melanin-concentrating hormone (MCH), to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes, as well as novel compounds which are antagonists for melanin-concentrating hormone (MCH). In other aspects, the invention is directed to pharmaceutical compositions comprising such MCH antagonists as well as methods for preparing such compounds. Compounds of the invention generally have the structure: where the substituents are as defined herein.

  本发明公开了使用黑素浓缩激素（MCH）拮抗剂治疗肥胖、代谢紊乱、食欲紊乱（如过度进食）和糖尿病的方法，以及作为黑素浓缩激素（MCH）拮抗剂的新化合物。在其他方面，本发明涉及包含这种MCH拮抗剂的药物组合物，以及制备这种化合物的方法。本发明的化合物通常具有以下结构： 其中取代基如本文所定义。
• MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY
  申请人：SCHERING CORPORATION

  公开号：EP1644366A1

  公开（公告）日：2006-04-12
• US7345042B2
  申请人：——

  公开号：US7345042B2

  公开（公告）日：2008-03-18
• [EN] MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY<br/>[FR] ANTAGONISTES DE MCH POUR LE TRAITEMENT DE L'OBESITE
  申请人：SCHERING CORP

  公开号：WO2005005419A1

  公开（公告）日：2005-01-20

  The present invention discloses methods of using antagonists for melanin-concentrating hormone (MCH), to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes, as well as novel compounds which are antagonists for melanin-concentrating hormone (MCH). In other aspects, the invention is directed to pharmaceutical compositions comprising such MCH antagonists as well as methods for preparing such compounds. Compounds of the invention generally have the structure of formula (I) where the substituents are as defined herein.
• Synthesis and structure–Activity relationships of M2-Selective muscarinic receptor ligands in the 1-[4-(4-Arylsulfonyl)-phenylmethyl]-4-(4-piperidinyl)-piperazine family
  作者：Stuart W McCombie、Sue-Ing Lin、Jayaram R Tagat、Dennis Nazareno、Susan Vice、Jennifer Ford、Theodros Asberom、Daria Leone、Joseph A Kozlowski、Guowei Zhou、Vilma B Ruperto、Ruth A Duffy、Jean E Lachowicz

  DOI：10.1016/s0960-894x(02)00024-0

  日期：2002.3

  The synthesis and muscarinic binding properties of compounds based on the 1-[4-(4-arylsulfonyl)phenylmethyl]-4-(1aroyl-4-piperidinyl)-piperazine skeleton are described. For Compounds. substituted with appropriately configured methyl groups at the benzylic center and at the piperazine 2-position. high levels of selective, M-2 subtype affinity could be obtained. particularly when the terminal N-aroyl residue was ortho-substituted. (C) 2002 Elsevier Science Ltd. All rights reserved.