1-(4-cyanophenyl)piperidine-3-carboxylic acid | 321337-54-6

• 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: 1-(4-cyanophenyl)piperidine-3-carboxylic acid
• CAS: 321337-54-6
• 化学式: C₁₃H₁₄N₂O₂
• mdl: MFCD09027712
• 分子量: 230.266
• InChiKey: SFCZUCPTDYRUIK-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114
• 沸点：
  470.8±40.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  64.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-(4-cyanophenyl)piperidine-3-carboxylic acid 、 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylamine 在 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以97%的产率得到1-(4-cyanophenyl)-N-(3-(6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)piperidine-3-carboxamide
  参考文献：
  名称：

  TLR inhibitors

  摘要：

  通式（I）的化合物：其中变量的含义在说明书中解释，或其立体异构形式或立体异构形式的混合物，或其药学上可接受的盐。药物组合物可以包括本发明的化合物，可用于抑制TLR7/8受体的方法。

  公开号：

  US10689360B1

文献信息

• TLR 9 inhibitors
  申请人：Insilico Medicine IP Limited

  公开号：US11008303B2

  公开（公告）日：2021-05-18

  A method for inhibiting TLR9 includes contacting the TLR9 with compound of general formula (I): wherein the meanings of the variables are explained in the specification, or a stereoisomeric form or a mixture of stereoisomeric forms, or pharmaceutically acceptable salts thereof. A pharmaceutical composition can include compounds of the invention, which can be used in a method for inhibiting TLR9 activity in vitro or in vivo. The method can be performed by administering the compound to a subject to inhibit TLR9 activity, which can be used to treat a disease or disorder associated with TLR9.

  抑制 TLR9 的方法包括将 TLR9 与通式（I）的化合物接触：其中变量的含义在说明书中解释，或立体异构体形式或立体异构体形式的混合物，或其药学上可接受的盐。 药物组合物可包括本发明的化合物，其可用于体外或体内抑制 TLR9 活性的方法中。 该方法可以通过向受试者施用化合物来抑制 TLR9 活性，从而用于治疗与 TLR9 相关的疾病或紊乱。
• TLR INHIBITORS
  申请人：Insilico Medicine IP Limited

  公开号：EP3917920A1

  公开（公告）日：2021-12-08
• TLR 9 INHIBITORS
  申请人：Insilico Medicine IP Limited

  公开号：US20200290994A1

  公开（公告）日：2020-09-17

  A method for inhibiting TLR9 includes contacting the TLR9 with compound of general formula (I): wherein the meanings of the variables are explained in the specification, or a stereoisomeric form or a mixture of stereoisomeric forms, or pharmaceutically acceptable salts thereof. A pharmaceutical composition can include compounds of the invention, which can be used in a method for inhibiting TLR9 activity in vitro or in vivo. The method can be performed by administering the compound to a subject to inhibit TLR9 activity, which can be used to treat a disease or disorder associated with TLR9.
• [EN] TLR INHIBITORS<br/>[FR] INHIBITEURS DE TLR
  申请人：INSILICO MEDICINE IP LTD

  公开号：WO2020157620A1

  公开（公告）日：2020-08-06

  A compound of general formula (I), as shown herein, wherein the meanings of the variables are explained in the specification, or a stereoisomeric form or a mixture of stereoisomeric, or pharmaceutically acceptable salts thereof. A pharmaceutical composition can include the said compounds, which can be used in a method for inhibiting TLR7/8 receptors.