1-O-tert-butyl 6-O-methyl 3-cyano-3-phenylhexanedioate | 1104490-97-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-O-tert-butyl 6-O-methyl 3-cyano-3-phenylhexanedioate
• CAS: 1104490-97-2
• 化学式: C₁₈H₂₃NO₄
• 分子量: 317.385
• InChiKey: KXOVBMHNEUBARH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴乙酸叔丁酯 、 苯乙腈 、 丙烯酸甲酯（MA） 在 sodium hydride 、 苄基三甲基氢氧化铵 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 5.0h， 生成 1-O-tert-butyl 6-O-methyl 3-cyano-3-phenylhexanedioate 、 4-氰基-4-苯基庚二酸二甲酯 、 β-Cyan-β-phenyl-glutarsaeure-di-tert.-butylester
  参考文献：
  名称：

  Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors

  摘要：

  3,3-Disubstituted piperidine-derived trisubstituted urea entA-2b was discovered as a highly potent and selective soluble epoxide hydrolase (sEH) inhibitor. Despite the good compound oral exposure, excellent sEH inhibition in whole blood, and remarkable selectivity, compound entA-2b failed to lower blood pressure acutely in spontaneously hypertensive rats (SHRs). This observation further challenges the premise that sEH inhibition can provide a viable approach to the treatment of hypertensive patients. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.138

文献信息

• US8455520B2
  申请人：——

  公开号：US8455520B2

  公开（公告）日：2013-06-04
• Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors
  作者：Hong C. Shen、Fa-Xiang Ding、Qiaolin Deng、Suoyu Xu、Hsuan-shen Chen、Xinchun Tong、Vincent Tong、Xiaoping Zhang、Yuli Chen、Gaochao Zhou、Lee-Yuh Pai、Magdalena Alonso-Galicia、Bei Zhang、Sophie Roy、James R. Tata、Joel P. Berger、Steven L. Colletti

  DOI：10.1016/j.bmcl.2009.07.138

  日期：2009.9

  3,3-Disubstituted piperidine-derived trisubstituted urea entA-2b was discovered as a highly potent and selective soluble epoxide hydrolase (sEH) inhibitor. Despite the good compound oral exposure, excellent sEH inhibition in whole blood, and remarkable selectivity, compound entA-2b failed to lower blood pressure acutely in spontaneously hypertensive rats (SHRs). This observation further challenges the premise that sEH inhibition can provide a viable approach to the treatment of hypertensive patients. (C) 2009 Elsevier Ltd. All rights reserved.