(5-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol | 953780-29-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol
• 英文别名: [5-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanol；[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol
• CAS: 953780-29-5
• 化学式: C₈H₈F₃NO₂
• 分子量: 207.152
• InChiKey: KYPHIGVGVMAUHO-UHFFFAOYSA-N

物化性质

• 沸点：
  256.2±40.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (5-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 盐酸 、 甲醇 、 N-羟基-7-氮杂苯并三氮唑 、 2,2,6,6-四甲基哌啶氧化物 、 copper(II) sulfate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 potassium bromide 、 sodium t-butanolate 作用下， 以 乙醚 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 19.0h， 生成 2-(5-fluoro-6-[(3R)-3-methylmorpholin-4-yl]pyridin-3-yl)-N-((1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl)acetamide
  参考文献：
  名称：

  WO2007/120729

  摘要：

  公开号：
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 在 甲醇 、 potassium carbonate 、 caesium carbonate 、 间氯过氧苯甲酸 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 (5-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol
  参考文献：
  名称：

  Pyridyl amides as potent inhibitors of T-type calcium channels

  摘要：

  A novel series of amide T-type calcium channel antagonists were prepared and evaluated using in vitro and in vivo assays. Optimization of the screening hit 3 led to identification of the potent and selective T-type antagonist 37 that displayed in vivo efficacy in rodent models of epilepsy and sleep. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.089

文献信息

• Triazinone compound and T-type calcium channel inhibitor
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US09403798B2

  公开（公告）日：2016-08-02

  There is provided a novel triazinone compound that has an excellent T-type voltage-dependent calcium channel inhibitory activity and is specifically useful for treatment of pain. A compound of Formula (I), a tautomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof: where each substituent is defined in detail in the description or claims, for example R1 is H or C1-6 alkoxy, etc., each of L1 and L2 is independently a single bond or NR2, etc., L3 is C1-6 alkylene, etc., A is C6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc., B is C3-11 cycloalkylene, etc., D is C6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc.

  提供了一种新型的三嗪酮化合物，该化合物具有优良的T型电压依赖性钙通道抑制活性，特别适用于治疗疼痛。公式(I)的化合物、该化合物的tautomer、药用可接受的盐或溶剂: 其中，每个取代基在说明或权利要求中有详细定义，例如，R1是H或C1-6烷氧基等，L1和L2各自独立为单键或NR2等，L3为C1-6亚烷基等，A为C6-14芳基或5至10元杂芳基，该芳基可被选配地取代等，B为C3-11环烷基等，D为C6-14芳基或5至10元杂芳基，该芳基可被选配地取代等。
• Pyridyl amide T-type calcium channel antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08263627B2

  公开（公告）日：2012-09-11

  The present invention is directed to pyridyl amide compounds which are antagonists of T-type calcium channels, and which are useful in the treatment or prevention of disorders and diseases in which T-type calcium channels are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels are involved.

  本发明涉及吡啶酰胺化合物，其是T型钙通道的拮抗剂，并且在涉及T型钙通道的疾病或疾病的治疗或预防中有用。该发明还涉及包含这些化合物的制药组合物以及在涉及T型钙通道的这些疾病的预防或治疗中使用这些化合物和组合物。
• Pyridyl Amide T-Type Calcium Channel Antagonists
  申请人：Barrow James C.

  公开号：US20090275550A1

  公开（公告）日：2009-11-05

  The present invention is directed to pyridyl amide compounds which are antagonists of T-type calcium channels, and which are useful in the treatment or prevention of disorders and diseases in which T-type calcium channels are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels are involved.

  本发明涉及对T型钙通道具有拮抗作用的吡啶酰胺化合物，其在治疗或预防与T型钙通道有关的疾病和疾病中具有用途。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗与T型钙通道有关的疾病的用途。
• TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20150065705A1

  公开（公告）日：2015-03-05

  There is provided a novel triazinone compound that has an excellent T-type voltage-dependent calcium channel inhibitory activity and is specifically useful for treatment of pain. A compound of Formula (I), a tautomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof: where each substituent is defined in detail in the description or claims, for example R 1 is H or C 1-6 alkoxy, etc., each of L 1 and L 2 is independently a single bond or NR 2 , etc., L 3 is C 1-6 alkylene, etc., A is C 6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc., B is C 3-11 cycloalkylene, etc., D is C 6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc.

  提供了一种新型三嗪酮化合物，具有出色的T型电压依赖性钙离子通道抑制活性，并且特别适用于治疗疼痛。化合物式(I)的化合物，其互变异构体，其药学上可接受的盐或其溶剂化物：其中每个取代基在说明或权利要求书中详细定义，例如R1为H或C1-6烷氧基等，每个L1和L2分别独立地为单键或NR2等，L3为C1-6烷基等，A为C6-14芳基或5至10成员杂环芳基，可选地取代等，B为C3-11环烷基等，D为C6-14芳基或5至10成员杂环芳基，可选地取代等。
• Synthesis and Evaluation of a Fluorine-18 Radioligand for Imaging Huntingtin Aggregates by Positron Emission Tomographic Imaging
  作者：Tanpreet Kaur、Allen F. Brooks、Alex Lapsys、Timothy J. Desmond、Jenelle Stauff、Janna Arteaga、Wade P. Winton、Peter J. H. Scott

  DOI：10.3389/fnins.2021.766176

  日期：——

  enable the study of Huntington's disease pathology using a non-invasive imaging modality, positron emission tomography (PET) imaging. Herein, we report the first synthesis of fluorine-18 imaging agent, 6-(5-((5-(2,2-difluoro-2-(fluoro-18F)ethoxy)pyridin-2-yl)methoxy)benzo[d]oxazol-2-yl)-2-methylpyridazin-3(2H)-one ([18F]1), a radioligand for HD and its preclinical evaluation in vitro (autoradiography of

  亨廷顿基因 (HTT) 的突变会触发亨廷顿蛋白 (mHTT) 的聚集，这是神经退行性亨廷顿病 (HD) 的标志性病理学。高亲和力 18F 放射性示踪剂的开发将使使用非侵入性成像方式、正电子发射断层扫描 (PET) 成像来研究亨廷顿病病理学成为可能。在此，我们报道了氟18显像剂6-(5-((5-(2,2-二氟-2-(氟-18F)乙氧基)吡啶-2-基)甲氧基)苯并[d]的首次合成。 ]恶唑-2-基)-2-甲基哒嗪-3(2H)-酮 ([18F]1)，一种 HD 放射性配体及其临床前体外评价（死后 HD 脑放射自显影）和体内评价（啮齿动物和非人类灵长类动物大脑 PET）。 [18F]1 的合成浓度为 4.1% RCY（衰减校正），平均摩尔活性为 16.5 ± 12.5 GBq/μmol (445 ± 339 Ci/mmol)。 [18F]1 穿透啮齿动物和灵长类动物的血脑屏障，在死后脑切片中观察到