2-[(tert-butoxycarbonyl)amino]-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]pyridin-4-yl trifluoromethanesulfonic acid | 1186689-17-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-[(tert-butoxycarbonyl)amino]-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]pyridin-4-yl trifluoromethanesulfonic acid
• 英文别名: 2-[(tert-butoxycarbonyl)amino]-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4-pyridinyl trifluoromethanesulfonate；[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(oxan-2-yloxymethyl)pyridin-4-yl] trifluoromethanesulfonate
• CAS: 1186689-17-7
• 化学式: C₁₇H₂₃F₃N₂O₇S
• 分子量: 456.44
• InChiKey: VJCDMHRQGCJIAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  吗啉 、 2-[(tert-butoxycarbonyl)amino]-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]pyridin-4-yl trifluoromethanesulfonic acid 以 二甲基亚砜 为溶剂， 反应 21.0h， 生成 tert-butyl N-[4-morpholino-6-(2-tetrahydropyranyloxymethyl)-2-pyridyl]carbamate
  参考文献：
  名称：

  [EN] HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE
  [FR] DÉRIVÉ D'HÉTÉROARYLTHIOMÉTHYL PYRIDINE

  摘要：

  本发明涉及一种由以下公式（I）表示的化合物：其中X是由表示的基团或类似的基团；Y是由表示的基团或类似的基团；Ar1是由表示的基团或其药用可接受盐。

  公开号：

  WO2010126163A1
• 作为产物：
  描述：

  三氟甲磺酸酐 、 {4-hydroxy-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]pyridin-2-yl}carbamic acid tert-butyl ester 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 2-[(tert-butoxycarbonyl)amino]-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]pyridin-4-yl trifluoromethanesulfonic acid
  参考文献：
  名称：

  Synthesis and evaluation of a series of 2,4-diaminopyridine derivatives as potential positron emission tomography tracers for neuropeptide Y Y1 receptors

  摘要：

  A series of 2,4-diaminopyridine derivatives was synthesized and evaluated as potential candidates for neuropeptide Y (NPY) Y1 receptor positron emission tomography (PET) tracers. Derivatives bearing substitutions allowing reliable access to radiolabeling were designed, focusing on Y1 binding affinity and lipophilicity. The advanced derivatives 2n and 2o were identified as promising PET tracer candidates. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.030

文献信息

• HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE
  申请人：Kameda Minoru

  公开号：US20120028970A1

  公开（公告）日：2012-02-02

  The present invention relates to a compound represented by a formula (I): wherein X is a group represented by or the like; Y is a group represented by or the like; and Ar 1 is a group represented by or a pharmaceutically acceptable salt thereof.

  本发明涉及一种由式(I)表示的化合物：其中X是由等表示的基团；Y是由等表示的基团；Ar1是由等表示的基团或其药学上可接受的盐。
• ALKYLAMINOPYRIDINE DERIVATIVE
  申请人：Ando Makoto

  公开号：US20110015181A1

  公开（公告）日：2011-01-20

  The present invention relates to a compound that is useful for treatment of, for example, hypertension, arteriosclerosis, bulimia and obesity because of having an antagonistic action to a neuropeptide Y receptor and is represented by formula (I) [wherein R 1 represents hydrogen, cyano, or the like; R represents a group represented by formula (II); X 1 represents C 1-4 lower alkylene or the like; X 2 represents lower alkylene or the like; and Het represents a 5-membered heteroaromatic ring that has at least one nitrogen atom and, in addition, one or two hetero atoms selected from the group consisting of nitrogen, sulfur and oxygen atoms] or to a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，由式(I)表示，该化合物具有对神经肽Y受体的拮抗作用，因此可用于治疗高血压、动脉硬化、暴食症和肥胖症等疾病。其中，R1代表氢、氰或类似物；R代表由式(II)表示的基团；X1代表C1-4低烷基或类似物；X2代表低烷基或类似物；Het代表一个五元杂环芳香环，其中至少有一个氮原子，并且还有一个或两个来自氮、硫和氧原子组成的杂原子。该化合物或其药学上可接受的盐可用于治疗上述疾病。
• EP2264026
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE<br/>[FR] DÉRIVÉ D'HÉTÉROARYLTHIOMÉTHYL PYRIDINE
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010126163A1

  公开（公告）日：2010-11-04

  The present invention relates to a compound represented by a formula (I): wherein X is a group represented by or the like; Y is a group represented by or the like; and Ar1 is a group represented by or a pharmaceutically acceptable salt thereof.

  本发明涉及一种由以下公式（I）表示的化合物：其中X是由表示的基团或类似的基团；Y是由表示的基团或类似的基团；Ar1是由表示的基团或其药用可接受盐。
• Synthesis and evaluation of a series of 2,4-diaminopyridine derivatives as potential positron emission tomography tracers for neuropeptide Y Y1 receptors
  作者：Minoru Kameda、Makoto Ando、Chisato Nakama、Kensuke Kobayashi、Hiroshi Kawamoto、Sayaka Ito、Tomoki Suzuki、Takeshi Tani、Satoshi Ozaki、Shigeru Tokita、Nagaaki Sato

  DOI：10.1016/j.bmcl.2009.07.030

  日期：2009.9

  A series of 2,4-diaminopyridine derivatives was synthesized and evaluated as potential candidates for neuropeptide Y (NPY) Y1 receptor positron emission tomography (PET) tracers. Derivatives bearing substitutions allowing reliable access to radiolabeling were designed, focusing on Y1 binding affinity and lipophilicity. The advanced derivatives 2n and 2o were identified as promising PET tracer candidates. (C) 2009 Elsevier Ltd. All rights reserved.