3-甲基-1-(3-甲基苯甲酰基)哌啶 | 21042-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-甲基-1-(3-甲基苯甲酰基)哌啶
• 英文名称: 3-methyl-1-(3-methylbenzoyl)piperidine
• 英文别名: N-(m-Toluyl)-3-methylpiperidin；(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
• CAS: 21042-60-4
• 化学式: C₁₄H₁₉NO
• mdl: MFCD01212477
• 分子量: 217.311
• InChiKey: SRHJVQDFOIXHFI-UHFFFAOYSA-N

物化性质

• 沸点：
  102.6-104.6 °C(Press: 0.01 Torr)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-methylpiperidin-1-yl(4-nitrophenyl)methanone 以75%的产率得到3-甲基-1-(3-甲基苯甲酰基)哌啶
  参考文献：
  名称：

  EP2535059

  摘要：

  公开号：

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。
• Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0629344A2

  公开（公告）日：1994-12-21

  The use of dimethyl substituted oxymethyl cyclohexane derivatives defined according to the structure : and geranial having the structure :

  使用根据结构......定义的二甲基取代氧甲基环己烷衍生物和具有结构.....： 和具有以下结构的香叶醇：
• Acyclic and carbocyclic ketones, alcohols, aldehydes, nitriles and esters and uses thereof for their insect repellency properties
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0815728A2

  公开（公告）日：1998-01-07

  This invention relates to the use of geraldehyde having the structure as an insect repellent. This invention also relates to the uses of the compound having the structure: and/or the compound having the structure: or a compound defined according to the structure: and/or a compound having the structure: and/or a mixture of compounds having the structures: as repellents against the mosquito species Aedes aegyptae.

  本发明涉及具有以下结构的吉拉尔醛作为驱虫剂的用途 作为驱虫剂的用途。 本发明还涉及具有以下结构的化合物的用途： 和/或具有以下结构的化合物 或根据该结构定义的化合物： 和/或具有上述结构的化合物 和/或具有上述结构的化合物混合物： 的化合物和/或具有以下结构的化合物混合物作为埃及伊蚊的驱避剂。
• Use of acyclic and carbocylic ketones, alcohols, aldehydes, nitriles and esters for repelling or attracting insects
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1042953A2

  公开（公告）日：2000-10-11

  This invention relates to the uses of the compound having the structure: and/or a mixture of compounds defined according to the structure: containing the compounds having the structures: and/or the compound having the structure: and/or a mixture of compounds having the structures and/or a compound having the structure: as repellents against the mosquito species Aedes aegyptae, and the uses of the compound having the structure: as an attractant for a number of insect species.

  本发明涉及具有以下结构的化合物的用途： 和/或根据结构定义的化合物混合物： 含有具有以下结构的化合物 和/或具有以下结构的化合物 和/或具有以下结构的化合物混合物 和/或具有以下结构的化合物混合物 作为埃及伊蚊的驱虫剂，以及具有以下结构的化合物的用途： 作为一些昆虫物种的引诱剂。
• INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0660667A1

  公开（公告）日：1995-07-05