2-Dimethylaminomethyl-6-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Dimethylaminomethyl-6-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanone
• 英文别名: (6E)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
• 化学式: C₁₇H₂₃NO₂
• 分子量: 273.375
• InChiKey: BZZVSTIKPGXTCG-SDNWHVSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Dimethylaminomethyl-6-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanone 在 盐酸 、 碘 、 magnesium 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 7.5h， 生成 {3-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-2-phenyl-cyclohex-1-enylmethyl}-dimethyl-amine
  参考文献：
  名称：

  Synthesis and cytotoxicity of a novel 1-alkylaminomethyl-2,4-diaryl-butadiene-1,3 fragment integrated within cyclohex(pent)enes

  摘要：

  A group of 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n with a 1-alkylaminomethyl-2,4-diaryl-1,3-butadiene fragment and a group of their congeners 3-alkylaminomethyl-1,2-diarylcyclohexene 7a-f have been synthesised for the first time. The conjugated system in 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n was unambiguously confirmed by X-ray crystallography. Cytotoxicity tests revealed that 3a-n possess inconsistent cytotoxicity against cancer cells, not their congeners 7a-f.

  DOI：

  10.1016/j.farmac.2004.01.010

文献信息

• 5-Amino-1-pentene-3-ol substituted derivatives
  申请人：GRUENENTHAL GMBH

  公开号：US20030220390A1

  公开（公告）日：2003-11-27

  The invention relates to 5-amino-1-pentene-3-ol substituted derivatives, a method for the production thereof, medicaments containing said compounds, the use of substituted 5-amino-1-pentene-3-ol derivatives for the production of medicaments, and methods of treatment using the medicaments.

  本发明涉及5-氨基-1-戊烯-3-醇取代衍生物、其生产方法、含有该化合物的药物、用于制备药物的取代5-氨基-1-戊烯-3-醇衍生物的使用以及使用药物的治疗方法。
• US6815443B2
  申请人：——

  公开号：US6815443B2

  公开（公告）日：2004-11-09
• Synthesis and cytotoxicity of a novel 1-alkylaminomethyl-2,4-diaryl-butadiene-1,3 fragment integrated within cyclohex(pent)enes
  作者：Kejun Zhao、Yongfeng Wang、Linxiang Zhao、Zhizhong Ji、Dan Li、Michael J. Tisdale、Carl H. Schwalbe

  DOI：10.1016/j.farmac.2004.01.010

  日期：2004.5

  A group of 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n with a 1-alkylaminomethyl-2,4-diaryl-1,3-butadiene fragment and a group of their congeners 3-alkylaminomethyl-1,2-diarylcyclohexene 7a-f have been synthesised for the first time. The conjugated system in 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n was unambiguously confirmed by X-ray crystallography. Cytotoxicity tests revealed that 3a-n possess inconsistent cytotoxicity against cancer cells, not their congeners 7a-f.