((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol | 781636-90-6

• 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: ((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
• 英文别名: [(4S,5S)-5-ethenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
• CAS: 781636-90-6
• 化学式: C₁₈H₁₇NO₂
• 分子量: 279.338
• InChiKey: ZPSAIKXBLPQWSH-IRXDYDNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4R,5S)-2-Biphenyl-4-yl-4-phenylsulfanylmethyl-5-vinyl-4,5-dihydro-oxazole
  参考文献：
  名称：

  Synthesis and evaluation of novel oxazoline MMP inhibitors

  摘要：

  MMP inhibitors with novel oxazoline zinc binding groups have been synthesized and evaluated. Selectivity for the inhibition of MMP-9 over MMP-1, MMP-2, and MMP-12 has been achieved in several cases. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.023
• 作为产物：
  描述：

  (3RS,4S)-4-[N-(tert-butoxycarbonyl)amino]-5-tert-butyldimethylsiloxy-pent-1-en-3-ol 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 1,3-双(二苯基膦)丙烷 、 四丁基氟化铵 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 ((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
  参考文献：
  名称：

  Synthesis and evaluation of novel oxazoline MMP inhibitors

  摘要：

  MMP inhibitors with novel oxazoline zinc binding groups have been synthesized and evaluated. Selectivity for the inhibition of MMP-9 over MMP-1, MMP-2, and MMP-12 has been achieved in several cases. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.023

文献信息

• Synthesis and evaluation of novel oxazoline MMP inhibitors
  作者：Gregory R. Cook、Ethirajan Manivannan、Thane Underdahl、Viera Lukacova、Yufen Zhang、Stefan Balaz

  DOI：10.1016/j.bmcl.2004.07.023

  日期：2004.10

  MMP inhibitors with novel oxazoline zinc binding groups have been synthesized and evaluated. Selectivity for the inhibition of MMP-9 over MMP-1, MMP-2, and MMP-12 has been achieved in several cases. (C) 2004 Elsevier Ltd. All rights reserved.