(E)-2,6-di-tert-butyl-4-<2-(3-pyridinyl)ethenyl>phenol | 116376-62-6

• 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: (E)-2,6-di-tert-butyl-4-<2-(3-pyridinyl)ethenyl>phenol
• 英文别名: 3-[2-(3',5'-di-t-butyl-4'-hydroxyphenyl)ethenyl]pyridine；2,6-Di-tert-butyl-4-(2-(3-pyridinyl)ethenyl)phenol；2,6-ditert-butyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
• CAS: 116376-62-6
• 化学式: C₂₁H₂₇NO
• 分子量: 309.451
• InChiKey: LMLDPXXCYIXDSG-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-2,6-di-tert-butyl-4-<2-(3-pyridinyl)ethenyl>phenol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以18%的产率得到2,6-di-tert-butyl-4-<2-(3-pyridinyl)ethyl>phenol
  参考文献：
  名称：

  Antiinflammatory 2,6-di-tert-butyl-4-(2-arylethenyl)phenols

  摘要：

  A series of 2,6-di-tert-butyl-4-(2-arylethenyl)phenols was prepared and examined for their ability to inhibit cyclooxygenase and 5-lipoxygenase in vitro and developing adjuvant arthritis in vivo in the rat. Structure-activity relationships are discussed. Among the best compounds is (E)-2,6-di-tert-butyl-4-[2-(3-pyridinyl)ethenyl]phenol (7d). It has an IC50 of 0.67 microM for cyclooxygenase and 2.7 microM for 5-lipoxygenase and an ED50 of 2.1 mg/kg in developing adjuvant arthritis. Additional in vivo data are reported for 7d.

  DOI：

  10.1021/jm00121a021
• 作为产物：
  描述：

  3,5-二叔丁基-4-羟基苯甲醛 在 哌啶 、 sodium hydroxide 、 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 52.0h， 生成 (E)-2,6-di-tert-butyl-4-<2-(3-pyridinyl)ethenyl>phenol
  参考文献：
  名称：

  Antiinflammatory 2,6-di-tert-butyl-4-(2-arylethenyl)phenols

  摘要：

  A series of 2,6-di-tert-butyl-4-(2-arylethenyl)phenols was prepared and examined for their ability to inhibit cyclooxygenase and 5-lipoxygenase in vitro and developing adjuvant arthritis in vivo in the rat. Structure-activity relationships are discussed. Among the best compounds is (E)-2,6-di-tert-butyl-4-[2-(3-pyridinyl)ethenyl]phenol (7d). It has an IC50 of 0.67 microM for cyclooxygenase and 2.7 microM for 5-lipoxygenase and an ED50 of 2.1 mg/kg in developing adjuvant arthritis. Additional in vivo data are reported for 7d.

  DOI：

  10.1021/jm00121a021

文献信息

• 3-[2-(3',5'-di-t-butyl-4'-hydroxyphenyl)ethenyl]pyridine having
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US04743606A1

  公开（公告）日：1988-05-10

  The present invention discloses 3-[2-(3',5'-di-tert-butyl-4'-hydroxyphenyl)ethenyl]pyridine and its use in treating inflammation, particularly chronic inflammatory diseases such as arthritis, and allergic disorders.

  本发明公开了3-[2-(3',5'-二叔丁基-4'-羟基苯基)乙烯基]吡啶及其在治疗炎症，特别是类风湿性关节炎和过敏性疾病等慢性炎症性疾病中的用途。
• LAZER, EDWARD S.
  作者：LAZER, EDWARD S.

  DOI：——

  日期：——
• LAZER, EDWARD S.;WONG, HIN-CHOR;POSSANZA, GENUS J.;GRAHAM, ANNE G.;FARINA+, J. MED. CHEM., 32,(1989) N, C. 100-104
  作者：LAZER, EDWARD S.、WONG, HIN-CHOR、POSSANZA, GENUS J.、GRAHAM, ANNE G.、FARINA+

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS OF TREATING CHRONIC PAIN BY ADMINISTERING PROPOFOL DERIVATIVES
  申请人：Tibbs Gareth R.

  公开号：US20130005718A1

  公开（公告）日：2013-01-03

  Compositions and methods for managing or treating chronic pain are provided. More particularly, methods are provided for managing or treating chronic pain by administering to a patient in need thereof an effective amount of propofol or a propofol derivative having limited anesthetic properties. Methods of modulating HCN channel gating are also provided. Pharmaceutically acceptable compositions for, e.g., modulating HCN channel gating are further provided.
• US4743606A
  申请人：——

  公开号：US4743606A

  公开（公告）日：1988-05-10