methyl 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1,3-oxazole-4-carboxylate | 913650-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1,3-oxazole-4-carboxylate
• 英文别名: Methyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
• CAS: 913650-20-1
• 化学式: C₁₉H₁₆ClNO₄
• 分子量: 357.793
• InChiKey: HYFYBTIUMWIZKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1,3-oxazole-4-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 sodium 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1,3-oxazole-4-carboxylate
  参考文献：
  名称：

  Novel methylene-linked heterocyclic EP1 receptor antagonists

  摘要：

  We describe the SAR, in terms of heterocyclic replacements, for a series of pyrazole EP1 receptor antagonists. This study led to the identification of several aromatic heterocyclic replacements for the pyrazole in the original compound. Investigation of replacements for the methylene linker uncovered disparate SAR in the thiazole and pyridine series. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.071
• 作为产物：
  描述：

  methyl 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-4,5-dihydro-1,3-oxazole-4-carboxylate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 copper(ll) bromide 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 2-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1,3-oxazole-4-carboxylate
  参考文献：
  名称：

  Novel methylene-linked heterocyclic EP1 receptor antagonists

  摘要：

  We describe the SAR, in terms of heterocyclic replacements, for a series of pyrazole EP1 receptor antagonists. This study led to the identification of several aromatic heterocyclic replacements for the pyrazole in the original compound. Investigation of replacements for the methylene linker uncovered disparate SAR in the thiazole and pyridine series. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.071

文献信息

• Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders
  申请人：Bit Rino Antonio

  公开号：US20080207708A1

  公开（公告）日：2008-08-28

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein X, Z, Y′, Y″, R 1 , R 2a , R 2b , and R x are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  化合物的公式(I)或其药学上可接受的衍生物：其中X，Z，Y'，Y''，R1，R2a，R2b和Rx如规范中定义，制备这种化合物的过程，包含这种化合物的制药组合物以及在医学中使用这种化合物的用途。
• Novel methylene-linked heterocyclic EP1 receptor antagonists
  作者：Adrian Hall、Rino A. Bit、Susan H. Brown、Anita Chowdhury、Gerard M.P. Giblin、David N. Hurst、Ian R. Kilford、Xiao Lewell、Alan Naylor、Tiziana Scoccitti

  DOI：10.1016/j.bmcl.2008.01.071

  日期：2008.3

  We describe the SAR, in terms of heterocyclic replacements, for a series of pyrazole EP1 receptor antagonists. This study led to the identification of several aromatic heterocyclic replacements for the pyrazole in the original compound. Investigation of replacements for the methylene linker uncovered disparate SAR in the thiazole and pyridine series. (c) 2008 Elsevier Ltd. All rights reserved.