1-{4-[4-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea | 299460-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{4-[4-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
• 英文别名: 1-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl]-1-hydroxyurea
• CAS: 299460-35-8
• 化学式: C₃₀H₃₃ClN₄O₃
• 分子量: 533.07
• InChiKey: DGLAILDSPYOZLT-GDLZYMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  L-malic acid 、 1-{4-[4-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea 以 乙酸乙酯 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  [EN] PIPERAZINE DERIVATIVES AND THEIR USE AS SYNTHESIS INTERMEDIATES
  [FR] NOUVEAUX DERIVES DE PIPERAZINE ET LEUR UTILISATION COMME INTERMEDIAIRES DE SYNTHESE

  摘要：

  公开号：

  WO2004065360A3
• 作为产物：
  描述：

  4-[4-(2-Bromoethoxy)phenyl]but-3-yn-1-ol 在 偶氮二甲酸二异丙酯 、 氨 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-{4-[4-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
  参考文献：
  名称：

  Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity

  摘要：

  A series of compounds possessing both H, histamine receptor antagonist and 5-lipoxygenase (5-LO) inhibitory activities was synthesized. The H-1-binding scaffolds of cetirizine, efletirizine, and loratadine were linked to a lipophilic N-hydroxyurea, the 5-LO inhibiting moiety of zileuton. Both activities were observed in vivo, as was increased CYP3A4 inhibition compared to their respective single-function drugs. Selected analogs in the series were shown to be orally active in guinea pig models. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.060

文献信息

• DIARYLMETHYLPIPERAZINES AS PROPHYLACTIC OR THERAPEUTIC AGENTS FOR VIRAL MYOCARDITIS
  申请人：UCB Farchim S.A.

  公开号：EP1521581A1

  公开（公告）日：2005-04-13
• Diarylmethylpiperazines As Prophylactic Or Therapeutic Agents For Viral Myocarditis
  申请人：Matsumori Akira

  公开号：US20070281947A1

  公开（公告）日：2007-12-06

  To provide a prophylactic or therapeutic agent for viral myocarditis and viral myocarditis-related viral diseases by preventing or treating the occurrence of cell damage in various organs regardless of the type of virus. A prophylactic or therapeutic agent for viral myocarditis and via myocarditis-related via diseases is provided that comprises as an active ingredient 2-[4-(diphenylmethyl)-1-piperazinyl]-acetic acid, amide derivative, individual optical isomer or pharmaceutically acceptable salt thereof.
• US7968549B2
  申请人：——

  公开号：US7968549B2

  公开（公告）日：2011-06-28
• [EN] DIARYLMETHYLPIPERAZINES AS PROPHYLACTIC OR THERAPEUTIC AGENTS FOR VIRAL MYOCARDITIS<br/>[FR] DIARYLMETHYLPIPERAZINES UTILES COMME AGENTS PROPHYLACTIQUES OU THERAPEUTIQUES DE LA MYOCARDITE VIRALE
  申请人：UCB SA

  公开号：WO2004004728A1

  公开（公告）日：2004-01-15

  To provide a prophylactic or therapeutic agent for viral myocarditis and viral myocarditis-related viral diseases by preventing or treating the occurrence of cell damage in various organs regardless of the type of virus. A prophylactic or therapeutic agent for viral myocarditis and viral myocarditis-related viral diseases is provided that comprises as an active ingredient 2-[4-(dipehnylmethyl)-1-piperazinyl]-acetic acid, amide derivative, individual optical isomer or pharmaceutically acceptable salt thereof.
• [EN] PIPERAZINE DERIVATIVES AND THEIR USE AS SYNTHESIS INTERMEDIATES<br/>[FR] NOUVEAUX DERIVES DE PIPERAZINE ET LEUR UTILISATION COMME INTERMEDIAIRES DE SYNTHESE
  申请人：UCB FARCHIM SA

  公开号：WO2004065360A3

  公开（公告）日：2004-11-11