4-(2,4-二氟苯基)哌啶盐酸盐(1:1) | 941711-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(2,4-二氟苯基)哌啶盐酸盐(1:1)
• 中文别名: 4-(2,4-二氟苯基)哌啶盐酸盐
• 英文名称: 4-(2,4-difluorophenyl)piperidine hydrochloride
• 英文别名: 4-(2,4-difluorophenyl)piperidine;hydrochloride
• CAS: 941711-38-2
• 化学式: C₁₁H₁₃F₂N*ClH
• 分子量: 233.689
• InChiKey: PGBVBCBPMJOBHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-ethoxycarbonyl-7-(2-fluoro-5-methylphenylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid 、 4-(2,4-二氟苯基)哌啶盐酸盐(1:1) 以the title compound (117 mg, 47%) was obtained的产率得到6-[4-(2,4-difluorophenyl)piperidine-1-carbonyl]-3-ethoxycarbonyl-7-(2-fluoro-5-methylphenylamino)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES

  摘要：

  提供了一种用于预防和/或治疗皮肤疾病的药剂，其中包含一种以式(I)表示的吡唑并嘧啶衍生物作为活性成分，其中每个符号如规范中所定义，或其药理学上可接受的盐等。

  公开号：

  US20100256134A1
• 作为产物：
  描述：

  4-(2,4-二氟苯基)哌啶 生成 4-(2,4-二氟苯基)哌啶盐酸盐(1:1)
  参考文献：
  名称：

  WO2007/65655

  摘要：

  公开号：

文献信息

• 8-Substituted Pyrido[3,4-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors
  作者：Vassilios Bavetsias、Rachel M. Lanigan、Gian Filippo Ruda、Butrus Atrash、Mark G. McLaughlin、Anthony Tumber、N. Yi Mok、Yann-Vaï Le Bihan、Sally Dempster、Katherine J. Boxall、Fiona Jeganathan、Stephanie B. Hatch、Pavel Savitsky、Srikannathasan Velupillai、Tobias Krojer、Katherine S. England、Jimmy Sejberg、Ching Thai、Adam Donovan、Akos Pal、Giuseppe Scozzafava、James M. Bennett、Akane Kawamura、Catrine Johansson、Aleksandra Szykowska、Carina Gileadi、Nicola A. Burgess-Brown、Frank von Delft、Udo Oppermann、Zoe Walters、Janet Shipley、Florence I. Raynaud、Susan M. Westaway、Rab K. Prinjha、Oleg Fedorov、Rosemary Burke、Christopher J. Schofield、Isaac M. Westwood、Chas Bountra、Susanne Müller、Rob L. M. van Montfort、Paul E. Brennan、Julian Blagg

  DOI：10.1021/acs.jmedchem.5b01635

  日期：2016.2.25

  4-(pyridin-2-yl)thiazole-2-amine derivatives and their subsequent optimization, guided by structure-based design, to give 8-(1H-pyrazol-3-yl)pyrido[3,4-d]pyrimidin-4(3H)-ones, a series of potent JmjC histone N-methyl lysine demethylase (KDM) inhibitors which bind to Fe(II) in the active site. Substitution from C4 of the pyrazole moiety allows access to the histone peptide substrate binding site; incorporation

  我们报告了 N-取代的 4-(pyridin-2-yl)thiazole-2-amine 衍生物的发现及其后续优化，在基于结构的设计指导下，得到 8-(1H-pyrazol-3-yl)pyrido[ 3,4-d]pyrimidin-4(3H)-ones，一系列有效的 JmjC 组蛋白 N-甲基赖氨酸脱甲基酶 (KDM) 抑制剂，与活性位点中的 Fe(II) 结合。吡唑部分的 C4 取代允许进入组蛋白肽底物结合位点；加入构象受限的 4-苯基哌啶接头产生衍生物，例如 54j 和 54k，它们与 KDM4 (JMJD2) 和 KDM5 (JARID1) 亚科去甲基酶具有同等活性，对 KDM2、KDM3 和 KDM6 亚科的代表性样本具有选择性，细胞渗透性在 Caco-2 测定中，对于 54k，
• [EN] (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS DE (4-PHÉNYL-PIPÉRIDIN-1-YL)-[5-1H-PYRAZOL-4-YL)-THIOPHÉN-3-YL]-MÉTHANONE ET LEUR UTILISATION
  申请人：UNIV EDINBURGH

  公开号：WO2011033255A1

  公开（公告）日：2011-03-24

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain (4-phenyl-piperidin-1-yl)- [5-(1 H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds that, inter alia, inhibit 11 β-hydroxysteroid dehydrogenase type 1 (11 β-HSD1 ). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 1 1 β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11 β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明一般涉及治疗化合物领域。更具体地说，本发明涉及某些（4-苯基-哌啶-1-基）-[5-(1 H-吡唑-4-基)-噻吩-3-基]-甲酮化合物，其中包括抑制11β-羟基甾酮脱氢酶1（11β-HSD1）的作用。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体外和体内抑制11β-羟基甾酮脱氢酶1的用途；治疗通过抑制11β-羟基甾酮脱氢酶1而得到改善的疾病；治疗代谢综合征，其中包括2型糖尿病和肥胖等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质紊乱和缺血性（冠状动脉）心脏病等心血管疾病；治疗轻度认知障碍和早期痴呆等中枢神经系统疾病，包括阿尔茨海默病等。
• BENZIMIDAZOLYL COMPOUNDS
  申请人：Efremov Ivan

  公开号：US20080280933A1

  公开（公告）日：2008-11-13

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本文披露了化合物及其药学上可接受的盐，其中化合物的结构如规范中所定义的I式。还披露了相应的制药组合物、治疗方法、合成方法和中间体。
• AZABENZIMIDAZOLYL COMPOUNDS
  申请人：Efremov Ivan

  公开号：US20080312271A1

  公开（公告）日：2008-12-18

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  该专利公开了化合物及其药学上可接受的盐，其中该化合物的结构式定义如说明书中的式I。同时公开了相应的药物组合物、治疗方法、合成方法和中间体。
• (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use
  申请人：Webster Scott Peter

  公开号：US20120172393A1

  公开（公告）日：2012-07-05

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明涉及治疗化合物领域。更具体地说，本发明涉及某些(4-苯基哌啶-1-基)-[5-(1H-吡唑-4-基)-噻吩-3-基]-甲酮化合物，其中包括抑制11β-羟化类固醇脱氢酶1型(11β-HSD1)的化合物。本发明还涉及包含此类化合物的制药组合物的使用，以及在体外和体内使用此类化合物和组合物以抑制11β-羟化类固醇脱氢酶1型；治疗由抑制11β-羟化类固醇脱氢酶1型改善的疾病；治疗代谢综合征，包括2型糖尿病和肥胖症等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质代谢异常和心血管疾病，如缺血性(冠状)心脏病；治疗轻度认知障碍和早期痴呆等中枢神经系统疾病，包括阿尔茨海默病等。