| 1089147-12-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1089147-12-5
• 化学式: C₁₂H₁₈N₂O₇S
• 分子量: 334.35
• InChiKey: OEDCPZXFZIVOBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以80%的产率得到
  参考文献：
  名称：

  Design, synthesis and RNase A inhibition activity of catechin and epicatechin and nucleobase chimeric molecules

  摘要：

  Several novel catechin/epicatechin and nucleobase chimeric molecules 1-6 have been synthesized via azide-alkyne click chemistry. The structures of these hybrids have been confirmed by NMR and mass spectroscopic data. The synthesized molecules were tested for their RNase A inhibition activities. Gel-based assays showed inhibition in micromolar concentrations. The extent of inhibition was found to be dependent upon the nature of base as well as the configuration at C-3 position of catechin. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.051
• 作为产物：
  描述：

  、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以90%的产率得到
  参考文献：
  名称：

  Design, synthesis and RNase A inhibition activity of catechin and epicatechin and nucleobase chimeric molecules

  摘要：

  Several novel catechin/epicatechin and nucleobase chimeric molecules 1-6 have been synthesized via azide-alkyne click chemistry. The structures of these hybrids have been confirmed by NMR and mass spectroscopic data. The synthesized molecules were tested for their RNase A inhibition activities. Gel-based assays showed inhibition in micromolar concentrations. The extent of inhibition was found to be dependent upon the nature of base as well as the configuration at C-3 position of catechin. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.051

文献信息

• Synthesis of (3,4-dimethoxyphenoxy)alkylamino acetamides as orexin-2 receptor antagonists
  作者：Andrew G. Cole、Ilana L. Stroke、Lan-Ying Qin、Zahid Hussain、Srilatha Simhadri、Marc-Raleigh Brescia、Frank S. Waksmunski、Barbara Strohl、John E. Tellew、John P. Williams、John Saunders、Kenneth C. Appell、Ian Henderson、Maria L. Webb

  DOI：10.1016/j.bmcl.2008.09.038

  日期：2008.10

  The discovery and synthesis of a series of (dimethoxyphenoxy)alkylamino acetamides as orexin-2 receptor antagonists from a small-molecule combinatorial library using a high-throughput calcium mobilization functional assay (HEK293-human OX2-R cell line) is described. Active compounds show a good correlation between high-throughput single concentration screening data and measured IC(50)s. Specific examples

  描述了使用高通量钙动员功能测定法（HEK293-人OX2-R细胞系）从小分子组合文库中发现和合成一系列作为作为Orexin-2受体拮抗剂的（二甲氧基苯氧基）烷基氨基乙酰胺。活性化合物在高通量单浓度筛选数据和测得的IC（50）之间显示出良好的相关性。使用人orexin A作为orexin-2受体的肽激动剂，具体示例显示出约20 nM的IC（50）值。
• A facile synthesis of novel 2-amino-6-arylmethyl-7-carboxamido-7,8-dihydropyrimido[5,4-f][1,4]thiazepin-5-ones
  作者：Lan-Ying Qin、Andrew G. Cole、Axel Metzger、Marc-Raleigh Brescia、Kurt W. Saionz、Joan J. Zhang、Pascal Rigollier、James R. Wareing、Hubert Gstach、Juerg Zimmermann、Roland E. Dolle、John J. Baldwin、Ian Henderson

  DOI：10.1016/j.tetlet.2010.06.070

  日期：2010.8

  A facile synthesis of novel 2-amino-6-arylmethyl-7-carboxamido-7,8-dihydropyrimido[5,44][1,4]thiazepin-5-ones is described. The synthesis was developed on solid phase and was applied to provide a series of analogs in good yield. The key reactions are acylation of a cysteine derivative with 2,4-dichloropyrimidine-5-carbonyl chloride followed by cyclization to generate a 6-arylmethyl-7-carboxamido-2-chloro-7,8-dihydropyrimido[5,4-f][1,4]thiazepin-5-one, which is further derivatized with an amine to give the desired 2-amino-6-arylmethyl-7-carboxamido-7,8-dihydropyrimido[5,4-f][1,4]thiazepin-5-one. (C) 2010 Elsevier Ltd. All rights reserved.