(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid

• 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
• 英文名称: (2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid
• 化学式: C₂₂H₂₅NO₅
• 分子量: 383.444
• InChiKey: BYRKTALPFLWGRH-PGRDOPGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基四氢呋喃-2-羧酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid
  参考文献：
  名称：

  N-Tetrahydrofuroyl-(l)-phenylalanine derivatives as potent VLA-4 antagonists

  摘要：

  Given the proposed involvement of VLA-4 in inflammatory processes, a program to identify orally active VLA-4 antagonists was initiated. Herein, we report the discovery of a N-tetrahydrofuroyl-(L)-phenylalanine derivative (17) and related analogues as potent VLA-4 antagonists with good oral bioavailability. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00210-x

文献信息

• N-Tetrahydrofuroyl-(l)-phenylalanine derivatives as potent VLA-4 antagonists
  作者：Ginger X. Yang、Linda L. Chang、Quang Truong、George A. Doherty、Plato A. Magriotis、Stephen E. de Laszlo、Bing Li、Malcolm MacCoss、Usha Kidambi、Linda A. Egger、Ermengilda McCauley、Gail Van Riper、Richard A. Mumford、John A. Schmidt、William K. Hagmann

  DOI：10.1016/s0960-894x(02)00210-x

  日期：2002.6

  Given the proposed involvement of VLA-4 in inflammatory processes, a program to identify orally active VLA-4 antagonists was initiated. Herein, we report the discovery of a N-tetrahydrofuroyl-(L)-phenylalanine derivative (17) and related analogues as potent VLA-4 antagonists with good oral bioavailability. (C) 2002 Elsevier Science Ltd. All rights reserved.