Norzotepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: Norzotepine
• 英文别名: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N-methylethanamine
• 化学式: C₁₇H₁₆ClNOS
• 分子量: 317.839
• InChiKey: OVVBIIBBRZVPAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.6
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

代谢

Norzotepine 是 Zotepine 的人体代谢物。

Norzotepine is a known human metabolite of zotepine.

来源:NORMAN Suspect List Exchange

反应信息

• 作为产物：
  描述：

  ethyl N-[2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxyethyl]-N-methylcarbamate 生成 Norzotepine
  参考文献：
  名称：

  MATSUO, MASAAKI;UEHDA, IKUO

  摘要：

  DOI：

文献信息

• Methods for identifying novel multimeric agents that modulate receptors
  申请人：——

  公开号：US20030087306A1

  公开（公告）日：2003-05-08

  Disclosed are novel multi-binding compounds (agents) which bind cellular receptors. The compounds of this invention comprise a plurality of ligands each of which can bind to such cellular receptors thereby modulating the biological processes/functions thereof. Each of the ligands is covalently attached to a linker or linkers which may be the same of different to provide for the multi-binding compound. The linker is selected such that the multi-binding compound so constructed demonstrates increased modulation or disruption of the biological processes/functions of the cell. Also disclosed is a method for identifying such novel multi-binding compounds which bind cellular receptors and a method for generating a mixture of such novel multi-binding compounds.

  本发明揭示了新型的多重结合化合物（试剂），其能够结合细胞受体。本发明的化合物包括多个配体，每个配体都能够结合到这些细胞受体上，从而调节其生物过程/功能。每个配体均与一个连接剂或连接剂共价结合，这些连接剂可以相同或不同，以提供多重结合化合物。所选择的连接剂使得所构建的多重结合化合物表现出对细胞生物过程/功能的增强调节或干扰。本发明还揭示了一种识别能够结合细胞受体的新型多重结合化合物的方法，以及一种生成这种新型多重结合化合物混合物的方法。
• Identification of cytochrome P450 enzymes involved in the metabolism of zotepine, an antipsychotic drug, in human liver microsomes
  作者：T. SHIRAGA、H. KANEKO、K. IWASAKI、Z. TOZUKA、A. SUZUKI、T. HATA

  DOI：10.1080/004982599238623

  日期：1999.1

  1. Studies using human liver microsomes and recombinant human cytochrome P450 (P450) enzymes and flavin-containing monooxygenase (FMO) were performed to identify the enzymes responsible for the formation of zotepine metabolites in man.2. Human liver microsomes produced four metabolites and a tentative order of importance was: norzotepine, 3-hydroxyzotepine, zotepine S-oxide and 2-hydroxyzotepine. Zotepine N-oxide was also detected, but it could not bt quantified.3. The rates of formation of the major metabolite, norzotepine, and zotepine S-oxide (at a substrate concentration of 20 mu M) were significantly correlated with the testosterone 6 beta-hydroxylase activities and CYP3A4 contents of the 12 different human liver microsomal samples. Inhibition studies with P450 enzyme selective inhibitors and anti-rat CYP3A2 antibodies also indicated a predominant role of CYP3A4 in the formation of norzotepine and zotepine S-oxide. Furafylline and sulphaphenazole inhibited the N-demethylation of zotepine by up to similar to 30%.4. Correlation and inhibition data for the 2- and 3-hydroxylation of zotepine were consistent with the predominant role of CYP1A2 and 2D6 in the formation of these metabolites, respectively.5. Recombinant CYP1A1, 1A2, 2B6, 2C19, 3A4 and 3A5 efficiently catalysed N-demethylation of zotepine. CYP1A1, 1A2, 2B6 and 3A4 were also active for S-oxidation. CYP1A2 and 2D6*1-Val374 efficiently produced 2-hydroxyzotepine and 3-hyroxyzotepine, respectively. Recombinant human FMO3 did not catalyse zotepine S-oxidation.6. These results suggest that both the N-demethylation and S-oxidation of zotepine are mediated mainly by CYP3A4, and that CYP1A2 and 2D6 play an important role in the 2- and 3-hydroxylation of zotepine, respectively.
• MATSUO, MASAAKI;UEHDA, IKUO
  作者：MATSUO, MASAAKI、UEHDA, IKUO

  DOI：——

  日期：——
• EP1082289A4
  申请人：——

  公开号：EP1082289A4

  公开（公告）日：2001-03-14
• METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS
  申请人：Advanced Medicine, Inc.

  公开号：EP1082289A1

  公开（公告）日：2001-03-14