(R)-tert-butyl (1-methylpiperidin-3-yl)carbamate | 1001354-56-8

• 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: (R)-tert-butyl (1-methylpiperidin-3-yl)carbamate
• 英文别名: tert-butyl (R)-(1-methylpiperidin-3-yl)carbamate；tert-butyl N-[(3R)-1-methylpiperidin-3-yl]carbamate
• CAS: 1001354-56-8
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: RKSXBNIWPXOYBC-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-tert-butyl (1-methylpiperidin-3-yl)carbamate 在 盐酸 作用下， 以 水 、 异丙醇 为溶剂， 反应 1.0h， 以100%的产率得到(R)-1-methylpiperidin-3-amine dihydrochloride
  参考文献：
  名称：

  Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe

  摘要：

  p300/CREB binding pi-otein associated factor (PCAF/KAT2B) and general control nonderepressible 5 (GCNS/KAT2A) are multidomain proteins that have been implicated in retroviral infection, inflammation pathways, and cancer development. However, outside of viral replication, little is known about the dependence of these effects on the C-terminal bromodomain. Herein, we report GSK4027 as a chemical probe for the PCAF/GCN5 bromodomain, together with GSK4028 as an enantiomeric negative control. The probe was optimized from a weakly potent, nonselective p-yridazinone hit to deliver high potency for the PCAF/GCNS bromodomain, high solubility, cellular target engagement, and >= 18000-fold selectivity over the BET family, together with >= 70-fold selectivity over the wider bromodomain families.

  DOI：

  10.1021/acs.jmedchem.6b01566
• 作为产物：
  描述：

  (R)-3-Boc-氨基哌啶 、 聚合甲醛 在 甲酸 作用下， 以 2-甲基四氢呋喃 、 水 为溶剂， 反应 1.5h， 以69%的产率得到(R)-tert-butyl (1-methylpiperidin-3-yl)carbamate
  参考文献：
  名称：

  Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe

  摘要：

  p300/CREB binding pi-otein associated factor (PCAF/KAT2B) and general control nonderepressible 5 (GCNS/KAT2A) are multidomain proteins that have been implicated in retroviral infection, inflammation pathways, and cancer development. However, outside of viral replication, little is known about the dependence of these effects on the C-terminal bromodomain. Herein, we report GSK4027 as a chemical probe for the PCAF/GCN5 bromodomain, together with GSK4028 as an enantiomeric negative control. The probe was optimized from a weakly potent, nonselective p-yridazinone hit to deliver high potency for the PCAF/GCNS bromodomain, high solubility, cellular target engagement, and >= 18000-fold selectivity over the BET family, together with >= 70-fold selectivity over the wider bromodomain families.

  DOI：

  10.1021/acs.jmedchem.6b01566

文献信息

• PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS
  申请人：Muramoto Kenzo

  公开号：US20070219178A1

  公开（公告）日：2007-09-20

  The preventive or therapeutic agents of the present invention for multiple sclerosis comprise compounds represented by the following formula (I), or salts or hydrates thereof, [wherein, T 1 , X, Z 1 , Z 2 , and R 1 have the same meaning as T 1 , X, Z 1 , Z 2 , and R 1 in this application].

  本发明的预防或治疗多发性硬化症的药剂包括由以下式（I）所代表的化合物，或其盐或水合物，[其中，T1、X、Z1、Z2和R1的含义与本申请中的T1、X、Z1、Z2和R1相同]。
• Organic Compounds
  申请人：Fairhurst Robin Alec

  公开号：US20090240045A1

  公开（公告）日：2009-09-24

  A compound of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof, and their preparation and use as pharmaceuticals wherein R 1 , R 2 , R 3 , R 4 and W are as defined herein.

  式(I)的化合物，或其立体异构体或药学上可接受的盐，以及它们的制备和用作药物，其中R1、R2、R3、R4和W的定义如本文所述。
• Neue Alkin-Verbindungen mit MCH-antagonistischer Wirkung und diese Verbindungen enthaltende Arzneimittel
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP2357173A1

  公开（公告）日：2011-08-17

  Die vorliegende Erfindung betrifft Alkin-Verbindungen der allgemeinen Formel I in der die Gruppen und Reste A, B, W, X, Y, Z, R1 und R2 die in Anspruch 1 angegebenen Bedeutungen aufweisen. Ferner betrifft die Erfindung Arzneimittel enthaltend mindestens ein erfindungsgemäßes Alkin. Auf Grund der MCH-Rezeptor antagonistischen Aktivität eignen sich die erfindungsgemäßen Arzneimittel zur Behandlung von metabolischen Störungen und/oder Essstörungen, insbesondere von Obesitas, Bulimie, Anorexie, Hyperphagia und Diabetes.

  本发明涉及通式 I 的炔化合物 其中基团 A、B、W、X、Y、Z、R1 和 R2 具有权利要求 1 中给出的含义。本发明还涉及含有至少一种根据本发明的炔类化合物的药物。由于具有 MCH 受体拮抗活性，根据本发明的药物适用于治疗代谢紊乱和/或饮食失调，特别是肥胖症、贪食症、厌食症、多食症和糖尿病。
• US20140256717A1
  申请人：——

  公开号：US20140256717A1

  公开（公告）日：2014-09-11
• MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Fundación Centro Nacional de Investigaciones Oncologicas Carlos III

  公开号：US20160296528A1

  公开（公告）日：2016-10-13

  There is provided compounds of formula I, wherein R1, R 2a , R 2b , R 2c , X, Y, Z, R 3 and ring A/B have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. PI3-K, particularly class I PI3K, PIM family kinase and/or mTOR) is desired and/or required, and particularly in the treatment of cancer. The invention also relates to combinations containing such compounds.