2-({[6-{(tert-butoxycarbonyl)[(6-methylpyridin-2-yl)methyl]amino}-4-(morpholin-4-yl)pyridin-2-yl]methyl}sulfanyl)-5-ethyl-1,3-thiazol-4-carboxylic acid ethyl ester | 1187348-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-({[6-{(tert-butoxycarbonyl)[(6-methylpyridin-2-yl)methyl]amino}-4-(morpholin-4-yl)pyridin-2-yl]methyl}sulfanyl)-5-ethyl-1,3-thiazol-4-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-ethyl-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-[(6-methylpyridin-2-yl)methyl]amino]-4-morpholin-4-ylpyridin-2-yl]methylsulfanyl]-1,3-thiazole-4-carboxylate
• CAS: 1187348-46-4
• 化学式: C₃₀H₃₉N₅O₅S₂
• 分子量: 613.802
• InChiKey: UMNJISLKWBPZIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  161
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-({[6-{(tert-butoxycarbonyl)[(6-methylpyridin-2-yl)methyl]amino}-4-(morpholin-4-yl)pyridin-2-yl]methyl}sulfanyl)-5-ethyl-1,3-thiazol-4-carboxylic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 [6-({[5-ethyl-4-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-4-(morpholin-4-yl)pyridin-2-yl][(6-methylpyridin-2-yl)methyl]carbamic acid tert-butyl ester
  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
• 作为产物：
  描述：

  5-ethyl-2-thioxo-2,3-dihydro-1,3-thiazol-4-carboxylic acid ethyl ester 、 [6-{(tert-butoxycarbonyl)[(6-methylpyridin-2-yl)methyl]amino}-4-(morpholin-4-yl)pyridin-2-yl]methyl methane sulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-({[6-{(tert-butoxycarbonyl)[(6-methylpyridin-2-yl)methyl]amino}-4-(morpholin-4-yl)pyridin-2-yl]methyl}sulfanyl)-5-ethyl-1,3-thiazol-4-carboxylic acid ethyl ester
  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

• [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。
• 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。