(Z)-1-phenylcyclohept-4-enecarbonitrile | 874379-61-0

• 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: (Z)-1-phenylcyclohept-4-enecarbonitrile
• 英文别名: 1-phenyl-cyclohept-4-enecarbonitrile；1-phenylcyclohept-4-ene-1-carbonitrile
• CAS: 874379-61-0
• 化学式: C₁₄H₁₅N
• 分子量: 197.28
• InChiKey: ZWXXKUNMBWNMGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (Z)-1-phenylcyclohept-4-enecarbonitrile 在 sodium tetrahydroborate 、 二异丁基氢化铝 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 2.0h， 生成 (Z)-(1-phenylcyclohept-4-enyl)methanol
  参考文献：
  名称：

  Discovery of disubstituted piperidines and homopiperidines as potent dual NK 1 receptor antagonists–serotonin reuptake transporter inhibitors for the treatment of depression

  摘要：

  This report describes the synthesis, structure-activity relationships and activity of piperidine, homopiperidine, and azocane derivatives combining NK1 receptor (NK1R) antagonism and serotonin reuptake transporter (SERT) inhibition. Our studies culminated in the discovery of piperidine 2 and homopiperidine 8 as potent dual NK1R antagonists-SERT inhibitors. Compound 2 demonstrated significant activity in the gerbil forced swimming test, suggesting that dual NK1R antagonists-SERT inhibitors may be useful in treating depression disorders. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.010
• 作为产物：
  描述：

  Methyl 2-butyl-2-phenylhex-5-enenitrile 在 benzylidene 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (Z)-1-phenylcyclohept-4-enecarbonitrile
  参考文献：
  名称：

  Cycloalkylamine derivatives as NK-1/SSRI antagonists

  摘要：

  本公开涉及化合物及其在人类治疗中的应用。具体实施方式涉及式（I）的化合物或其异构体、药学上可接受的盐或溶剂，以及包含该化合物的药学上可接受的制剂，用于治疗或预防由速激肽介导的疾病和/或选择性抑制血清素再摄取转运蛋白所介导的疾病。这些化合物作为双重NK-1拮抗剂和选择性血清素再摄取抑制剂。

  公开号：

  US07494986B2

文献信息

• [EN] COMPOUNDS, COMPOSITIONS, AND METHODS OF USE<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2020243027A1

  公开（公告）日：2020-12-03

  Described herein are compounds that act as CYP46A1 inhibitors, compositions comprising these compounds, and methods of their use into treating neurodegenerative diseases and the like, or a pharmaceutically active salt thereof. The present invention relates to compounds represented by the formula wherein each symbol is as defined in the specification, or a pharmaceutically active salt thereof.

  本发明涉及作为CYP46A1抑制剂的化合物，包括这些化合物的组合物，以及它们用于治疗神经退行性疾病等方法，或其药用活性盐。本发明的化合物由以下公式表示，其中每个符号如说明书中所定义，或其药用活性盐。
• [EN] FACTOR XI ACTIVATION INHIBITORS<br/>[FR] INHIBITEURS D'ACTIVATION DU FACTEUR XI
  申请人：MERCK SHARP & DOHME

  公开号：WO2021231191A1

  公开（公告）日：2021-11-18

  The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XI activation inhibitors.

  本发明提供一种公式（I）的化合物，以及包含一个或多个所述化合物的制药组合物，以及使用所述化合物治疗或预防血栓形成，栓塞，高凝状态或纤维化变化的方法。这些化合物是选择性因子XI激活抑制剂。
• New cycloheptane nucleoside analogues
  作者：Aleksandr I. Tsybin、Valeriy P. Perevalov

  DOI：10.1016/j.mencom.2015.03.014

  日期：2015.3

  Epoxidation of 1-phenylcyclohept-4-ene-1-carbonitrile gives mostly E-isomer of the desired epoxy derivative, whose ring opening with adenine or thymine proceeds stereoselectively providing access to novel cycloheptane nucleoside analogues.
• US7494986B2
  申请人：——

  公开号：US7494986B2

  公开（公告）日：2009-02-24
• [EN] CYCLOALKYLAMINE DERIVATIVES AS NK-1 /SSRI ANTAGONISTS<br/>[FR] DERIVES DE CYCLOALKYLAMINE UTILISES COMME ANTAGONISTES NK-1 /SSRI
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2006023187A2

  公开（公告）日：2006-03-02

  The present disclosure relates to chemical compounds and their use in human therapy. A specific embodiment relates to compounds of Formula (I) or an isomer, a pharmaceutically acceptable salt or solvate thereof and pharmaceutically acceptable formulations comprising said compounds Formula (I); useful for the treatment or prevention of conditions mediated by tachykinins and/or selective inhibition of serotonin reuptake transporter protein. The compounds act as dual NK-1 antagonists and selective serotonin reuptake inhibitors.