1-benzhydryl-3-ethyl-3-methoxyazetidine | 942307-84-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzhydryl-3-ethyl-3-methoxyazetidine
• CAS: 942307-84-8
• 化学式: C₁₉H₂₃NO
• 分子量: 281.398
• InChiKey: UMTWGQFPXKMNRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzhydryl-3-ethyl-3-methoxyazetidine 在 10% palladium hydide/carbon 盐酸 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 反应 168.25h， 生成 trans-4-[1-(tert-butoxycarbonyl)-(4S)-(3-ethyl-3-methoxyazetidin-1-yl)-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid ethyl ester
  参考文献：
  名称：

  VLA-4 INHIBITORY DRUG

  摘要：

  公开号：

  EP1961750B1
• 作为产物：
  描述：

  1-二苯甲基氮杂环丁烷-3-酮 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 5.0h， 生成 1-benzhydryl-3-ethyl-3-methoxyazetidine
  参考文献：
  名称：

  [EN] N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  [FR] DÉRIVÉS DE N2-PHÉNYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE ET LEUR UTILISATION COMME INHIBITEURS DE MPS1

  摘要：

  本发明涉及式（I）的化合物，其中R1、R2、R3和R4均如本文所定义。本发明的化合物已知能够通过直接或间接与Mps1激酶本身相互作用来抑制单丝粒体1（Mps1，也称为TTK）激酶的纺锤体检查点功能。具体地，本发明涉及将这些化合物用作治疗和/或预防增殖性疾病，如癌症的治疗剂。本发明还涉及制备这些化合物的方法，以及包含它们的药物组合物。

  公开号：

  WO2015128676A1

文献信息

• VLA-4 inhibitory drug
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08129366B2

  公开（公告）日：2012-03-06

  There is provided a VLA-4 inhibitory drug having good oral absorbability and exhibiting sufficient anti-inflammatory effects when administered orally. A compound represented by the following formula (I): wherein R1 represents a hydrogen atom or a C1-8 alkyl group; R2 represents a hydrogen atom, a halogen atom, a C1-8 alkoxy group, or a benzyloxy group which may be substituted; Q represents a monocyclic or bicyclic nitrogen-containing heterocyclic group which may be substituted, and has a nitrogen atom as the bonding site; Y represents an oxygen atom or CH2; W represents a bicyclic aromatic hydrocarbon ring group which may be substituted, or a bicyclic aromatic heterocyclic group which may be substituted; R3a, R3b and R3c each independently represent a hydrogen atom, a halogen atom, a C1-8 alkoxy group or a C1-8 alkyl group; and A1 represents a nitrogen atom or C—R3d (wherein R3d represents a hydrogen atom, a halogen atom, a C1-8 alkoxy group or a C1-8 alkyl group), or a salt thereof, or a VLA-4 inhibitory drug comprising the compound or the salt as an active ingredient.

  提供一种具有良好口服吸收性并在口服时表现出足够的抗炎效果的VLA-4抑制剂药物。该化合物由以下公式（I）表示：其中R1表示氢原子或C1-8烷基；R2表示氢原子、卤素原子、C1-8烷氧基或可取代的苄氧基；Q表示可取代的单环或双环含氮杂环基团，并且有一个氮原子作为键合位点；Y表示氧原子或CH2；W表示可取代的双环芳香烃环基团或可取代的双环芳香杂环基团；R3a，R3b和R3c分别独立地表示氢原子、卤素原子、C1-8烷氧基或C1-8烷基；A1表示氮原子或C-R3d（其中R3d表示氢原子、卤素原子、C1-8烷氧基或C1-8烷基），或其盐，或包含该化合物或盐作为活性成分的VLA-4抑制剂药物。
• N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors
  申请人：Cancer Research Technology Limited

  公开号：US10399974B2

  公开（公告）日：2019-09-03

  The present invention relates to compounds of formula I: wherein R1, R2, R3 and R4 are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式 I 的化合物： 其中 R1、R2、R3 和 R4 均如本文所定义。已知本发明的化合物可直接或间接通过与 Mps1 激酶本身的相互作用抑制 Monospindle 1（Mps1--又称 TTK）激酶的纺锤体检查点功能。特别是，本发明涉及将这些化合物用作治疗和/或预防癌症等增殖性疾病的治疗剂。本发明还涉及这些化合物的制备工艺以及包含这些化合物的药物组合物。
• N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  申请人：Cancer Research Technology Ltd

  公开号：EP3110816A1

  公开（公告）日：2017-01-04
• N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20160362409A1

  公开（公告）日：2016-12-15

  The present invention relates to compounds of formula I: wherein R 1 , R 2 , R 3 and R 4 are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.
• N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS
  申请人：Cancer Research Technology Limited

  公开号：US20180194761A1

  公开（公告）日：2018-07-12

  The present invention relates to compounds of formula I: wherein R 1 , R 2 , R 3 and R 4 are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.