1-morpholinocyclobutanecarbonitrile | 1157485-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-morpholinocyclobutanecarbonitrile
• 英文别名: 1-morpholin-4-yl-cyclobutanecarbonitrile；1-morpholin-4-ylcyclobutane-1-carbonitrile
• CAS: 1157485-63-6
• 化学式: C₉H₁₄N₂O
• 分子量: 166.223
• InChiKey: BKHRNAOVYOKFPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 1-morpholinocyclobutanecarbonitrile 、 苯基锂 生成 C-(1-morpholin-4-yl-cyclobutyl)-C-phenyl-methylamine
  参考文献：
  名称：

  GlyT1 receptor antagonists

  摘要：

  本发明涉及式I的化合物，其中R1，R2，X，Ar1和Ar2如本文所定义，并涉及药物可接受的酸加盐、外消旋混合物或其对应的对映体和/或光学异构体。本发明的化合物是良好的甘氨酸转运体1（GlyT-1）抑制剂，并具有良好的选择性对甘氨酸转运体2（GlyT-2）抑制剂。

  公开号：

  US08063098B2
• 作为产物：
  描述：

  吗啉 、 环丁酮 、 三甲基氰硅烷 在 溶剂黄146 作用下， 以76%的产率得到1-morpholinocyclobutanecarbonitrile
  参考文献：
  名称：

  [EN] INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME
  [FR] COMPOSÉS INDAZOLE UTILISÉS COMME INHIBITEURS DE KINASE ET MÉTHODE DE TRAITEMENT DU CANCER AVEC LESDITS COMPOSÉS

  摘要：

  本教学提供了由结构式（I）或（I'）表示的吲唑化合物或其药用可接受的盐。还描述了这些药物组合物及其用作蛋白激酶抑制剂的方法，如对乳腺癌细胞、结肠癌细胞和卵巢癌细胞具有抗癌活性的TTK蛋白激酶、极化样激酶4（PLK4）和极化激酶。

  公开号：

  WO2013053051A1

文献信息

• GlyT1 RECEPTOR ANTAGONISTS
  申请人：Kolczewski Sabine

  公开号：US20100048531A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of formula I wherein R 1 , R 2 , X, Ar 1 and Ar 2 are as defined herein and to pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to their corresponding enantiomers and/or optical isomers thereof. Compounds of the invention are good inhibitors of the glycine transporter 1 (GlyT-1), and have a good selectivity to glycine transporter 2 (GlyT-2) inhibitors.

  本发明涉及一种具有式I的化合物 其中 R 1 ，R 2 ，X，Ar 1 和Ar 2 如本文所定义，并且涉及药学上可接受的酸盐加合物，外消旋混合物，或其相应的对映体和/或光学异构体。本发明的化合物是甘氨酸转运蛋白1（GlyT-1）的良好抑制剂，并且对甘氨酸转运蛋白2（GlyT-2）抑制剂具有良好的选择性。
• INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME
  申请人：University Health Network

  公开号：US20140371202A1

  公开（公告）日：2014-12-18

  The present teaching provide indazole compounds represented by Structural Formulae (I) or (I′) or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof as protein kinase inhibitors, such as TTK protein kinase, polo-like kinase 4 (PLK4) and Aurora kinases having anticancer activity against breast cancer cells, colon cancer cells, and ovarian cancer cells.

  本教学提供由结构式（I）或（I'）所代表的吲唑化合物或其药学上可接受的盐。还描述了制备药物组合物和使用方法，作为蛋白激酶抑制剂，例如TTK蛋白激酶，极化样激酶4（PLK4）和极化激酶，对乳腺癌细胞，结肠癌细胞和卵巢癌细胞具有抗癌活性。
• US8063098B2
  申请人：——

  公开号：US8063098B2

  公开（公告）日：2011-11-22
• US9580390B2
  申请人：——

  公开号：US9580390B2

  公开（公告）日：2017-02-28
• [EN] GLYT1 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE GLYT1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010020548A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of the general formula (I) wherein R1/R2 are independently from each other lower alkyl, or form together with the N-atom to which they are attached a heterocyclic group, selected from pyrrolidine, piperidine, piperazine, 4-methyl-piperazine, 4-cyclopropyl-piperazine, thiomorpholine, morpholine, 1-(3-oxa-8-aza- bicyclo[3.2.1]oct-8-yl or 1-(2-oxa-6-aza-spiro[3.3]hept-6-yl; X is a bond, -CH2- or -O-; Ar1 is aryl or heteroaryl, which are unsubstituted or substituted by one or two substituents selected from halogen, lower alkyl, lower alkoxy, or lower alkyl substituted by halogen; Ar2 is aryl or heteroaryl, which are unsubstituted or substituted by one, two or three substituents selected from halogen, lower alkyl, lower alkoxy, hydroxy, lower alkyl substituted by halogen, lower alkoxy substituted by halogen, S-lower alkyl, benzyl or phenyl; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to their corresponding enantiomers and/or optical isomers thereof. It has surprisingly been found that the compounds of general formula (I) are good inhibitors of the glycine transporter 1 (GIyT-1), and that they have a good selectivity to glycine transporter 2 (GlyT-2) inhibitors.