1-[4-(Difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(Difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone
• 化学式: C₁₆H₂₁F₂NO₂
• 分子量: 297.34
• InChiKey: UMYUOJPPUCNLQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  5

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。
• US9206125B2
  申请人：——

  公开号：US9206125B2

  公开（公告）日：2015-12-08