Sodium [3-[[(1S)-2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl]phenoxy]acetate | 171046-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Sodium [3-[[(1S)-2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl]phenoxy]acetate
• 英文别名: Acetic acid, (3-(((1S)-2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl)methyl)phenoxy)-, sodium salt；sodium;2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
• CAS: 171046-15-4
• 化学式: C₃₀H₂₆NO₄*Na
• 分子量: 487.531
• InChiKey: DPECFBBZFTXROT-JIDHJSLPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1R,2S)-1-(4,5-diphenyl-oxazol-2-yl)-1,2-epoxycyclohexane 在 sodium hydroxide 、 三溴化硼 、 potassium carbonate 、 对甲苯磺酸 、 copper(I) bromide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 Sodium [3-[[(1S)-2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl]phenoxy]acetate
  参考文献：
  名称：

  A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic

  摘要：

  Synthetic method of novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.054

文献信息

• 4,5-DIARYLOXAZOLE DERIVATIVES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0736018B1

  公开（公告）日：2000-07-05
• A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic
  作者：Kouji Hattori、Seiichiro Tabuchi、Osamu Okitsu、Kiyoshi Taniguchi

  DOI：10.1016/j.bmcl.2003.09.054

  日期：2003.12

  Synthetic method of novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. (C) 2003 Elsevier Ltd. All rights reserved.