benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate | 940925-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
• 英文别名: benzyl 2-(4-chIorophenyl)-4-oxopiperidine-1-carboxylate
• CAS: 940925-57-5
• 化学式: C₁₉H₁₈ClNO₃
• 分子量: 343.81
• InChiKey: KFTPQNQURGTUJT-UHFFFAOYSA-N

物化性质

• 沸点：
  504.2±50.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate 、 甲酸乙酯 在 sodium hydride 作用下， 以 甲醇 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and Efficacious γ-Secretase Inhibitors

  摘要：

  Discovery of a series of pyrazolopiperidine sulfonamide based gamma-secretase inhibitors and its SAR evolution is described. Significant increases in APP potency on the pyrazolopiperidine scaffold over the original N-bicyclic sulfonamide scaffold were achieved and this potency increase translated in an improved in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.039
• 作为产物：
  描述：

  1-Cbz-4-哌啶酮 在 copper(I) bromide dimethylsulfide complex 、 溴 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 8.08h， 生成 benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
  参考文献：
  名称：

  [EN] 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES
  [FR] 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES

  摘要：

  公开号：

  WO2007064914A3

文献信息

• 5-(Arylsulfonyl)-Pyrazolopiperidines
  申请人：Ye Michael Xiaocong

  公开号：US20070155753A1

  公开（公告）日：2007-07-05

  The invention provides N-cyclic sulfonamido compounds of Formula I wherein A, B, R 1, R 1a, R 2 , R 2a, R 3 and R 3a are as described in the specification. Compounds of Formula I are useful in treating or preventing cognitive disorders, such as Alzheimer's disease. The invention also encompasses pharmaceutical compositions comprising compounds of Formula I, methods of preparing compounds of formula I, and methods of treating cognitive disorders, such as Alzheimer's disease.

  本发明提供了式I的N-环磺酰胺化合物，其中A、B、R1、R1a、R2、R2a、R3和R3a如规范中所述。式I的化合物在治疗或预防认知障碍，如阿尔茨海默病方面是有用的。本发明还包括含有式I的制药组合物、制备式I化合物的方法，以及治疗认知障碍，如阿尔茨海默病的方法。
• 5-(arylsulfonyl)-pyrazolopiperidines
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US07732609B2

  公开（公告）日：2010-06-08

  The invention provides N-cyclic sulfonamido compounds of Formula I wherein A, B, R1, R1a, R2, R2a, R3 and R3a are as described in the specification. Compounds of Formula I are useful in treating or preventing cognitive disorders, such as Alzheimer's disease. The invention also encompasses pharmaceutical compositions comprising compounds of Formula I, methods of preparing compounds of formula I, and methods of treating cognitive disorders, such as Alzheimer's disease.

  本发明提供了公式I中的N-环磺酰胺化合物，其中A、B、R1、R1a、R2、R2a、R3和R3a如规范中所述。公式I的化合物在治疗或预防认知障碍，如阿尔茨海默病方面有用。本发明还包括包含公式I化合物的制药组合物，制备公式I化合物的方法，以及治疗认知障碍，如阿尔茨海默病的方法。
• Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels in Vivo
  作者：Lars Wortmann、Bernhard Lindenthal、Peter Muhn、Alexander Walter、Reinhard Nubbemeyer、Dieter Heldmann、Lothar Sobek、Federica Morandi、Anna K. Schrey、Dieter Moosmayer、Judith Günther、Joachim Kuhnke、Marcus Koppitz、Ulrich Lücking、Ulrike Röhn、Martina Schäfer、Katrin Nowak-Reppel、Ronald Kühne、Hilmar Weinmann、Gernot Langer

  DOI：10.1021/acs.jmedchem.9b01382

  日期：2019.11.27

  The human luteinizing hormone receptor (hLH-R) is a member of the glycoprotein hormone family of G-protein-coupled receptors (GPCRs), activated by luteinizing hormone (hLH) and essentially involved in the regulation of sex hormone production. Thus, hLH-R represents a valid target for the treatment of sex hormone-dependent cancers and diseases (polycystic ovary syndrome, uterine fibroids, endometriosis) as well as contraception. Screening of the Bayer compound library led to the discovery of tetrahydrothienopyridine derivatives as novel, small-molecule (SMOL) hLH-R inhibitors and to the development of BAY-298, the first nanomolar hLH-R antagonist reducing sex hormone levels in vivo. Further optimization of physicochemical, pharmacokinetic, and safety parameters led to the identification of BAY-899 with an improved in vitro profile and proven efficacy in vivo. BAY-298 and BAY-899 serve as valuable tool compounds to study hLH-R signaling in vitro and to interfere with the production of sex hormones in vivo.
• 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES
  申请人：Elan Pharmaceuticals Inc.

  公开号：EP1957458A2

  公开（公告）日：2008-08-20
• US7732609B2
  申请人：——

  公开号：US7732609B2

  公开（公告）日：2010-06-08