4-[2-(5-fluoro-1H-indol-2-yl)-6-methylpiperidin-1-yl-methyl]-benzonitrile | 1429085-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-[2-(5-fluoro-1H-indol-2-yl)-6-methylpiperidin-1-yl-methyl]-benzonitrile
• 英文别名: 4-[2-(5-fluoro-1H-indol-2-yl)-6-methylpiperidinylmethyl]benzonitrile；4-[[2-(5-fluoro-1H-indol-2-yl)-6-methylpiperidin-1-yl]methyl]benzonitrile
• CAS: 1429085-71-1
• 化学式: C₂₂H₂₂FN₃
• 分子量: 347.435
• InChiKey: ZGSSTMPARKFOQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist
  申请人：Schiemann Kai

  公开号：US20150011557A1

  公开（公告）日：2015-01-08

  The invention provides novel substituted benzyl piperidine compounds according to Formula (I) as lysophosphatidic acid (LPA) receptor antagonists, their manufacture and use for the treatment of proliferative or inflammatory diseases, such as cancer, fibrosis or arthritis.

  该发明提供了根据式（I）提供的新型取代苄基哌啶化合物，作为赖氨酸磷脂酸（LPA）受体拮抗剂，其制造和用于治疗增生性或炎症性疾病，如癌症、纤维化或关节炎。
• PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS
  申请人：Lucite International UK Limited

  公开号：US20150011758A1

  公开（公告）日：2015-01-08

  A novel bidentate ligand of general formula (I) is described together with a process for the carbonylation of ethylenically unsaturated compounds. The group X 1 may be defined as a univalent hydrocarbyl radical of up to 30 atoms containing at least one nitrogen atom having a pKb in dilute aqueous solution at 18° C. of between 4 and 14 wherein the said at least one nitrogen atom is separated from the Q 2 atom by between 1 and 3 carbon atoms. The group X 2 is defined as X 1 , X 3 or X 4 or represents a univalent radical of up to 30 atoms having at least one primary, secondary or aromatic ring carbon atom wherein each said univalent radical is joined via said at least one primary, secondary or aromatic ring carbon atom(s) respectively to the respective atom Q 2 . Q 1 and Q 2 each independently represent phosphorus, arsenic or antimony.

  本发明涉及一种一般式(I)的新型双齿配体，以及一种用于羰基化乙烯基不饱和化合物的方法。其中，基团X1可以定义为具有最多30个原子的一价烃基基团，其中至少含有一个氮原子，在18℃下的稀溶液中pKb值在4到14之间，且所述至少一个氮原子与Q2原子之间相隔1到3个碳原子。基团X2被定义为X1、X3或X4，或表示具有至少一个一级、二级或芳香环碳原子的最多30个原子的一价基团，其中每个所述一价基团分别通过所述至少一个一级、二级或芳香环碳原子与相应的Q2原子连接。Q1和Q2各自独立地表示磷、砷或锑。
• BENZYL PIPERIDINE COMPOUNDS AS LYSOPHOSPHATIDIC ACID (LPA) RECEPTOR ANTAGONIST
  申请人：Merck Patent GmbH

  公开号：EP2844648B1

  公开（公告）日：2016-11-09
• US9381503B2
  申请人：——

  公开号：US9381503B2

  公开（公告）日：2016-07-05
• US9527850B2
  申请人：——

  公开号：US9527850B2

  公开（公告）日：2016-12-27