3,5-dimethyl-1-(3-methyl-4-nitrobenzyl)piperidine | 1321821-85-5

• 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: 3,5-dimethyl-1-(3-methyl-4-nitrobenzyl)piperidine
• 英文别名: 3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine
• CAS: 1321821-85-5
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: KXWZXUAGJXBARX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-二甲基哌啶 、 3-甲基-4-硝基苄溴 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以61%的产率得到3,5-dimethyl-1-(3-methyl-4-nitrobenzyl)piperidine
  参考文献：
  名称：

  Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF)

  摘要：

  本发明确定了一种与mSin3B的PAH1结构域结合的化合物，该化合物特异地与神经限制性沉默因子NRSF结合，并将该化合物用作与神经限制性沉默因子NRSF/REST异常表达或NRSF/REST靶向基因异常表达相关的疾病的预防和/或治疗，例如亨廷顿病、髓母细胞瘤和神经病性疼痛。本发明提供了一种包含能够与mSin3B的PAH1结构域结合的物质的制药组合物，例如，以下式（1）所代表的化合物，其药理学上可接受的盐，或其药理学上可接受的酯：其中n代表0或1；R1、R2、R3、R4和R5各自独立地代表氢原子、碳氢基团或功能基团；Y代表单键、羰基、—CONH—、—NHCO—或磺酰基；Z代表氮含杂环基团，该基团可能具有取代基，可能具有碳氢基团或芳香碳氢基团的氨基团，或可能具有取代基的氮和氧含杂环基团。

  公开号：

  US09206125B2

文献信息

• USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF)
  申请人：Nishimura Yoshifumi

  公开号：US20130203738A1

  公开（公告）日：2013-08-08

  The present invention identifies a compound which binds to the PAH1 domain of mSin3B that specifically binds to neural restrictive silencer factor NRSF, and uses the compound as a prophylactic and/or a therapeutic for diseases associated with abnormal expression of neural restrictive silencer factor NRSF/REST or abnormal expression of genes targeted by NRSF/REST, such as Huntington's disease, medulloblastoma and neuropathic pain. The present invention provides a pharmaceutical composition comprising a substance capable of binding to the PAH1 domain of mSin3B, e.g., a compound represented by the following formula (I), a pharmacologically acceptable salt thereof, or a pharmacologically acceptable ester thereof: wherein n represents 0 or 1; R 1 , R 2 , R 3 , R 4 and R 5 each independently represent a hydrogen atom, a hydrocarbon group or a functional group; Y represents a single bond, a carbonyl group, —CONH—, —NHCO— or a sulfonyl group; and Z represents a nitrogen-containing heterocyclic group which may have a substituent, an amino group which may have a hydrocarbon group or an aromatic hydrocarbon group, or a nitrogen and oxygen-containing heterocyclic group which may have a substituent.

  本发明鉴定了一种结合mSin3B的PAH1结构域的化合物，该化合物特异性地结合神经限制性沉默因子NRSF，并将该化合物作为预防和/或治疗与神经限制性沉默因子NRSF/REST异常表达或受NRSF/REST靶向的基因异常表达相关的疾病，如亨廷顿病、髓母细胞瘤和神经病理性疼痛。本发明提供了一种制药组合物，包括能够结合mSin3B的PAH1结构域的物质，例如，由以下式（I）表示的化合物，其药理学上可接受的盐或酯：其中n代表0或1；R1、R2、R3、R4和R5各自独立地表示氢原子、碳氢基团或功能基团；Y表示单键、羰基、—CONH—、—NHCO—或磺酰基；Z表示氮杂环基团，该氮杂环基团可以具有取代基，氨基可以具有碳氢基团或芳香碳氢基团，或者氮和氧杂环基团可以具有取代基。
• EP2535059
  申请人：——

  公开号：——

  公开（公告）日：——
• US9206125B2
  申请人：——

  公开号：US9206125B2

  公开（公告）日：2015-12-08
• Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF)
  申请人：Nishimura Yoshifumi

  公开号：US09206125B2

  公开（公告）日：2015-12-08

  The present invention identifies a compound which binds to the PAH1 domain of mSin3B that specifically binds to neural restrictive silencer factor NRSF, and uses the compound as a prophylactic and/or a therapeutic for diseases associated with abnormal expression of neural restrictive silencer factor NRSF/REST or abnormal expression of genes targeted by NRSF/REST, such as Huntington's disease, medulloblastoma and neuropathic pain. The present invention provides a pharmaceutical composition comprising a substance capable of binding to the PAH1 domain of mSin3B, e.g., a compound represented by the following formula (1), a pharmacologically acceptable salt thereof, or a pharmacologically acceptable ester thereof: wherein n represents 0 or 1; R1, R2, R3, R4 and R5 each independently represent a hydrogen atom, a hydrocarbon group or a functional group; Y represents a single bond, a carbonyl group, —CONH—, —NHCO— or a sulfonyl group; and Z represents a nitrogen-containing heterocyclic group which may have a substituent, an amino group which may have a hydrocarbon group or an aromatic hydrocarbon group, or a nitrogen and oxygen-containing heterocyclic group which may have a substituent.

  本发明确定了一种与mSin3B的PAH1结构域结合的化合物，该化合物特异地与神经限制性沉默因子NRSF结合，并将该化合物用作与神经限制性沉默因子NRSF/REST异常表达或NRSF/REST靶向基因异常表达相关的疾病的预防和/或治疗，例如亨廷顿病、髓母细胞瘤和神经病性疼痛。本发明提供了一种包含能够与mSin3B的PAH1结构域结合的物质的制药组合物，例如，以下式（1）所代表的化合物，其药理学上可接受的盐，或其药理学上可接受的酯：其中n代表0或1；R1、R2、R3、R4和R5各自独立地代表氢原子、碳氢基团或功能基团；Y代表单键、羰基、—CONH—、—NHCO—或磺酰基；Z代表氮含杂环基团，该基团可能具有取代基，可能具有碳氢基团或芳香碳氢基团的氨基团，或可能具有取代基的氮和氧含杂环基团。