N-methyl-N-cyclopentylbenzylamine

• 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: N-methyl-N-cyclopentylbenzylamine
• 英文别名: methylcyclopentylbenzylamine；N-benzyl-N-methylcyclopentanamine
• 化学式: C₁₃H₁₉N
• 分子量: 189.301
• InChiKey: ASKYIFBXGFWCBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环戊酮 、 N-甲基苄胺 在 氢气 作用下， 以 四氢呋喃 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 以99 %的产率得到N-methyl-N-cyclopentylbenzylamine
  参考文献：
  名称：

  在连续流动条件下使用多相聚硅烷-钯催化剂进行胺与酮的还原 N-烷基化

  摘要：

  这项工作报告了使用分子氢对胺与酮进行连续流动还原 N-烷基化。该反应采用高活性聚硅烷改性的多相钯催化剂进行，能够在温和的流动条件下有效合成多种取代的胺。所开发的催化剂表现出持续活性5天（周转数>2400）。此外，通过活性药物成分特力利汀的关键中间体的合成证明了该方法的实用性。

  DOI：

  10.1021/acs.orglett.4c00876

文献信息

• [EN] HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION COMME MÉDICAMENTS THÉRAPEUTIQUES
  申请人：DONG-A SOCIO HOLDINGS CO LTD

  公开号：WO2017039331A1

  公开（公告）日：2017-03-09

  The present invention provides heterocyclic compounds, the stereoisomer thereof, the enantiomer thereof, or the pharmaceutically acceptable salt, which are capable of modulating the activity of Mer receptor tyrosine kinase (MERTK). This invention also provides pharmaceutical compositions thereof, methods to prepare the said compounds, and the use of such compounds as a medicament. The present invention is directed to MERTK inhibitory compounds with marked potency, thereby having an outstanding potential for a pharmaceutical intervention of cancer and any other diseases related to MERTK dysregulation.

  本发明提供了一种杂环化合物、其立体异构体、对映异构体或药用可接受的盐，这些化合物能够调节Mer受体酪氨酸激酶（MERTK）的活性。本发明还提供了这些化合物的药物组合物、制备所述化合物的方法以及将这些化合物用作药物的应用。本发明针对的是具有显著活性的MERTK抑制性化合物，因此具有在癌症和任何与MERTK调控失调相关的疾病中进行药物干预的卓越潜力。
• High-Throughput Screening of Reductive Amination Reactions Using Desorption Electrospray Ionization Mass Spectrometry
  作者：David L. Logsdon、Yangjie Li、Tiago Jose Paschoal Sobreira、Christina R. Ferreira、David H. Thompson、R. Graham Cooks

  DOI：10.1021/acs.oprd.0c00230

  日期：2020.9.18

  screening system that is capable of screening thousands of organic reactions in a single day. This system combines a liquid handling robot with desorption electrospray ionization (DESI) mass spectrometry (MS) for a rapid reaction mixture preparation, accelerated synthesis, and automated MS analysis. A total of 3840 unique reductive amination reactions were screened to demonstrate the throughputs that are

  这项研究描述了最新一代的高通量筛选系统，该系统能够在一天内筛选成千上万的有机反应。该系统将液体处理机器人与解吸电喷雾电离（DESI）质谱（MS）相结合，可快速制备反应混合物，加快合成速度并自动进行MS分析。总共筛选了3840个独特的还原胺化反应，以证明该系统具备的通量。产物，副产物和中间体均在全扫描质谱图中进行监控，从而生成反应进程的完整视图。进行串联质谱实验以验证所形成产物的身份。数据中显示的胺和亲电子反应性趋势符合理论预期，表示系统可以准确地对反应性能进行建模。DESI结果与使用更传统的质谱技术（例如液相色谱-质谱）生成的数据相关性很好，从而验证了系统生成的数据。
• [EN] SURFACE ACTIVE COMPOUND<br/>[FR] COMPOSÉ TENSIOACTIF
  申请人：COOEPERATIE KONINKLIJKE COSUN U A

  公开号：WO2019162469A1

  公开（公告）日：2019-08-29

  The present invention relates to novel surface active compounds based on polyhydroxy acids. The compounds are of formula (I), where X represents hydrogen or a cation; n is 4 and Y represents a group of formula (II) or formula (III), wherein at least one one of R1, R2 and R3 is a surfactant tail group, wherein the moiety represented by formula (Ι') represents the residue of galacturonic acid, and are generally easy to prepare by derivatization of polyhydroxy acids obtained from renewable resources such as, in particular, parenchymal plant materials. The invention relates to the surface active compounds, compositions comprising the same, methods of production and different uses of the surface active compounds. (l'), (l), (ll), (lll)

  本发明涉及基于多羟基酸的新型表面活性剂化合物。该化合物的化学式为（I），其中X代表氢或阳离子；n为4，Y代表式（II）或式（III）的基团，其中R1、R2和R3中至少有一个是表面活性剂尾基团，式（Ι'）所代表的部分表示半乳糖醛酸的残基，并且通常易于通过从可再生资源（如特别是实质性植物材料）获得的多羟基酸的衍生制备而成。本发明涉及表面活性剂化合物、包含其的组合物、制备方法以及表面活性剂化合物的不同用途。
• Pyrazolone Derivative
  申请人：Gomi Noriaki

  公开号：US20100324091A1

  公开（公告）日：2010-12-23

  A pyrazolone derivative represented by formula (I) below: wherein R 1 to R 3 are the same as defined in claims; or an optical isomer, a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof is provided. The novel pyrazolone derivative according to the present invention has a PAI-1 production inhibitory activity, a tissue fibrosis inhibitory activity, and a fibrolytic activity, and is effective for preventing and/or treating tissue fibrotic diseases (lung fibrosis, kidney fibrosis, etc.) and diseases of which a pathological thrombus becomes the cause, such as ischemic cardiac diseases (cardiac infarction and angina pectoris), atrial thrombus, lung embolism, deep thrombophlebitis, disseminated intravascular clotting, ischemic brain diseases (brain infarction, brain hemorrhage), and arterial sclerosis. In addition, a pharmaceutical agent for preventing and/or treating the disease conditions or the symptoms mediated by plasminogen activator inhibitor-1, comprising the novel pyrazolone derivative according to the present invention is also provided.

  本发明提供了一种由以下式（I）表示的吡唑酮衍生物：其中，R1至R3与权利要求中定义的相同；或其光学异构体、药学上可接受的盐或其水合物或溶剂化物。根据本发明，这种新型的吡唑酮衍生物具有PAI-1生产抑制活性、组织纤维化抑制活性和纤溶活性，对于预防和/或治疗组织纤维化疾病（肺纤维化、肾脏纤维化等）以及由病理性血栓引起的疾病（缺血性心脏病（心肌梗死和心绞痛）、心房血栓、肺栓塞、深静脉血栓性炎症、弥漫性血管内凝血、缺血性脑疾病（脑梗死、脑出血）和动脉硬化）非常有效。此外，本发明还提供了一种用于预防和/或治疗由纤溶酶原激活剂抑制物-1介导的疾病状况或症状的药物制剂，其包括根据本发明的新型吡唑酮衍生物。
• PYRAZOLONE DERIVATIVE
  申请人：Kowa Company, Ltd.

  公开号：EP2172458A1

  公开（公告）日：2010-04-07

  A pyrazolone derivative represented by formula (I) below: wherein R1 to R3 are the same as defined in claims; or an optical isomer, a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof is provided. The novel pyrazolone derivative according to the present invention has a PAI-1 production inhibitory activity, a tissue fibrosis inhibitory activity, and a fibrolytic activity, and is effective for preventing and/or treating tissue fibrotic diseases (lung fibrosis, kidney fibrosis, etc.) and diseases of which a pathological thrombus becomes the cause, such as ischemic cardiac diseases (cardiac infarction and angina pectoris), atrial thrombus, lung embolism, deep thrombophlebitis, disseminated intravascular clotting, ischemic brain diseases (brain infarction, brain hemorrhage), and arterial sclerosis. In addition, a pharmaceutical agent for preventing and/or treating the disease conditions or the symptoms mediated by plasminogen activator inhibitor-1, comprising the novel pyrazolone derivative according to the present invention is also provided.

  下式（I）所代表的吡唑酮衍生物： 其中 R1 至 R3 与权利要求中定义的相同；或其光学异构体、药学上可接受的盐或其水合物或溶液。根据本发明的新型吡唑酮衍生物具有 PAI-1 生成抑制活性、组织纤维化抑制活性和纤维分解活性，可有效预防和/或治疗组织纤维化疾病（肺纤维化、肾纤维化等）和病理血栓形成疾病。例如缺血性心脏病（心肌梗塞和心绞痛）、心房血栓、肺栓塞、深部血栓性静脉炎、弥散性血管内凝血、缺血性脑部疾病（脑梗塞、脑出血）和动脉硬化。此外，还提供了一种用于预防和/或治疗由纤溶酶原激活剂抑制剂-1介导的疾病症状的药剂，其中包含根据本发明的新型吡唑酮衍生物。