(1S,3R)-3-fluorocyclopentanamine | 932779-47-0

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: (1S,3R)-3-fluorocyclopentanamine
• 英文别名: (1S,3R)-3-fluorocyclopentan-1-amine
• CAS: 932779-47-0
• 化学式: C₅H₁₀FN
• 分子量: 103.14
• InChiKey: YEPOLBBUNYSRBS-UHNVWZDZSA-N

物化性质

• 沸点：
  119.3±33.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1S,3R)-3-fluorocyclopentanamine 在 platinum(IV) oxide 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 3.5h， 生成 6-bromo-N4-[(1S,3R)-3-fluorocyclopentyl]quinoline-3,4-diamine
  参考文献：
  名称：

  Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors

  摘要：

  本发明提供了新颖的咪唑并[4,5-c]喹啉和咪唑并[4,5-c][1,5]萘啉衍生物的化合物(I)及其药学上可接受的盐，其中R1、R1a、R1b、R2、R4、R5、R6、X和Z如规范中所定义。该发明还涉及包含化合物(I)的药物组合物，以及利用这些化合物治疗与LRRK2相关的疾病，如神经退行性疾病包括帕金森病或阿尔茨海默病、癌症、克罗恩病或麻风病。

  公开号：

  US20170073343A1

文献信息

• Discovery of novel arylpyrazole series as potent and selective opioid receptor-like 1 (ORL1) antagonists
  作者：Kensuke Kobayashi、Minaho Uchiyama、Hirokatsu Ito、Hirobumi Takahashi、Takashi Yoshizumi、Hiroki Sakoh、Yasushi Nagatomi、Masanori Asai、Hiroshi Miyazoe、Tomohiro Tsujita、Mioko Hirayama、Satoshi Ozaki、Takeshi Tani、Yasuyuki Ishii、Hisashi Ohta、Osamu Okamoto

  DOI：10.1016/j.bmcl.2009.04.116

  日期：2009.7

  The synthesis and biological evaluation of new potent opioid receptor-like 1 antagonists are presented. A structure–activity relationship (SAR) study of arylpyrazole lead compound 1 obtained from library screening identified compound 31, (1S,3R)-N-[1-(3-chloropyridin-2-yl)-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl]methyl}-3-fluorocyclopentanamine, which exhibits high intrinsic potency

  介绍了新型有效的阿片受体样1拮抗剂的合成和生物学评价。通过文库筛选获得的芳基吡唑铅化合物1的结构活性关系（SAR）研究确定了化合物31，（1 S，3 R）-N -[1-（3-氯吡啶-2-基）-5-（5 -氟-6-甲基吡啶基-3-基）-4-甲基-1 H-吡唑-3-基]甲基} -3-氟环戊胺，对其他阿片受体和hERG钾离子通道具有很高的内在效力和选择性。
• Identification of MK-1925: A selective, orally active and brain-penetrable opioid receptor-like 1 (ORL1) antagonist
  作者：Kensuke Kobayashi、Tomohiro Tsujita、Hirokatsu Ito、Satoshi Ozaki、Takeshi Tani、Yasuyuki Ishii、Shoki Okuda、Kiyoshi Tadano、Takahiro Fukuroda、Hisashi Ohta、Osamu Okamoto

  DOI：10.1016/j.bmcl.2009.06.051

  日期：2009.8

  Structure-activity relationship studies directed toward improving the metabolic stability of compound 1 resulted in the identification of 3-[5-(3,5-difluorophenyl)-3-([(1S,3R)-3-fluorocyclopentyl]amino}methyl)-4-methyl-1H-pyrazol-1-yl]propanenitrile 39 (MK-1925) as a selective, orally available and brain-penetrable opioid receptor-like 1 (ORL1) antagonist. The compound also showed in vivo efficacy after oral dosing. Therefore, compound 39 was selected to undergo further studies as a clinical candidate. (C) 2009 Elsevier Ltd. All rights reserved.
• Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20170073343A1

  公开（公告）日：2017-03-16

  The present invention provides novel imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives of Formula (I), and the pharmaceutically acceptable salts thereof wherein R 1 , R 1a , R 1b , R 2 , R 4 , R 5 , R 6 , X and Z are as defined in the specification. The invention is also directed to pharmaceutical compositions comprising the compounds of Formula (I) and to use of the compounds in the treatment of diseases associated with LRRK2, such as neurodegenerative diseases including Parkinson's disease or Alzheimer's disease, cancer, Crohn's disease or leprosy.

  本发明提供了新颖的咪唑并[4,5-c]喹啉和咪唑并[4,5-c][1,5]萘啉衍生物的化合物(I)及其药学上可接受的盐，其中R1、R1a、R1b、R2、R4、R5、R6、X和Z如规范中所定义。该发明还涉及包含化合物(I)的药物组合物，以及利用这些化合物治疗与LRRK2相关的疾病，如神经退行性疾病包括帕金森病或阿尔茨海默病、癌症、克罗恩病或麻风病。