3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-propionic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-propionic acid
• 英文别名: 3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
• 化学式: C₁₈H₂₇NO₃
• 分子量: 305.4
• InChiKey: QGYSOUNOYAAGCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• ENZYMATIC METHODS FOR NITROGEN-ATOM TRANSFER
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160040199A1

  公开（公告）日：2016-02-11

  The present invention provides methods for catalyzing a nitrene insertion into a C—H bond to produce a product having a new C—N bond, comprising providing a C—H containing substrate, a nitrene precursor and an engineered heme enzyme; and allowing the reaction to proceed for a time sufficient to form a regioselective product having a new C—N bond.

  本发明提供了催化亚硝基插入到C-H键形成新的C-N键的方法，包括提供含有C-H键的底物、亚硝基前体和经过工程改造的血红素酶；并允许反应进行足够长的时间以形成具有新的C-N键的区域选择性产物。
• IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES
  申请人：California Institute of Technology

  公开号：US20150267232A1

  公开（公告）日：2015-09-24

  This invention relates to the use of heme-containing enzymes to catalyze carbene and nitrene insertion and transfer reactions with greater selectivity, mild reaction conditions, and convenient production.
• [EN] INTEGRIN ANTAGONISTS<br/>[FR] ANTAGONISTES DE L'INTÉGRINE
  申请人：MASSACHUSETTS GEN HOSPITAL

  公开号：WO2020033724A1

  公开（公告）日：2020-02-13

  The present application relates to compounds which are integrin antagonists. Methods of preparing the integrin antagonists and methods of treating diseases and disorders associated with abnormal levels and/or expression of one or more integrins are also provided.