4-[(E)-3-methylbut-1-enyl]phenol | 1089284-92-3

• 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: 4-[(E)-3-methylbut-1-enyl]phenol
• CAS: 1089284-92-3
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: GXYXTXDETQMQQZ-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-[(E)-3-methylbut-1-enyl]phenol 在 偶氮二甲酸二异丙酯 、 palladium 10% on activated carbon 、 甲酸铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 (1R,3r,5S)-3-[4-isopentyl-phenoxy]-8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octane
  参考文献：
  名称：

  Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00575
• 作为产物：
  描述：

  苯酚 、 顺-1,3-戊二烯 以18%的产率得到
  参考文献：
  名称：

  LAAN, JAN A. M.;GIESEN, FREDERICUS L. L.;WARD, JAMES P., CHEM. AND IND.,(1989) N1, C. 354-355

  摘要：

  DOI：

文献信息

• THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS
  申请人：FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：US20190135778A1

  公开（公告）日：2019-05-09

  Pharmaceutical compounds have a bicyclic-sulphonamide structure and pharmaceutical compositions including the compounds may be used in therapy as brain-cell-death protectants and may be used, for example, in the treatment of chronic neurodegenerative diseases. The compounds are active as inhibitors of N-acylethanolamine-hydrolysing acid amidase (NAAA) and may be used for the therapeutic treatment and prevention of pain and inflammatory disorders and other disorders which benefit from the modulation of fatty acid ethanolamides, particularly palmitoylethanolamide (PEA).

  药物化合物具有双环磺胺结构，包括这些化合物的药物组合物可用于治疗作为脑细胞死亡保护剂的疾病，并且可以用于慢性神经退行性疾病的治疗，例如。这些化合物作为N-酰基乙醇胺水解酸酶（NAAA）的抑制剂具有活性，并可用于治疗和预防疼痛和炎症性疾病以及其他受益于脂肪酸乙醇胺调节的疾病，特别是棕榈酰乙醇胺（PEA）。
• Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions
  申请人：FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：US10865194B2

  公开（公告）日：2020-12-15

  Pharmaceutical compounds are disclosed having a bicyclic-sulphonamide structure of Formula 1: wherein R1 represents an unsubstituted or a substituted heteroaryl ring; R2, R3, R4, and R5 are independently selected from hydrogen, alkyl, hydroxyalkyl, and alkyl-O-alkyl, provided that either R2 and R3, or R4 and R5 are linked or taken together to form a bridge between the carbon atoms to which R2 and R3, or R4 and R5 respectively are directly linked, whereby the N-containing ring in Formula 1 is an azabicyclo moiety. The compounds and compositions including the compounds may be used in therapy as brain-cell-death protectants, for example, in the treatment of chronic neurodegenerative diseases. The compounds are active as inhibitors of N-acylethanolamine-hydrolysing acid amidase (NAAA) and may be used for the therapeutic treatment and prevention of pain and inflammatory disorders and other disorders which benefit from the modulation of fatty acid ethanolamides, particularly palmitoylethanolamide (PEA).

  本发明公开了具有式 1 双环磺酰胺结构的药物化合物： 其中R1代表未取代的或取代的杂芳基环；R2、R3、R4和R5独立地选自氢、烷基、羟烷基和烷基-O-烷基，条件是R2和R3或R4和R5相连或一起在R2和R3或R4和R5分别直接相连的碳原子之间形成桥，其中式1中的含N环是氮杂双环分子。这些化合物和包括这些化合物的组合物可作为脑细胞死亡保护剂用于治疗，例如用于治疗慢性神经退行性疾病。这些化合物作为 N-乙酰乙醇胺-水解酸酰胺酶（NAAA）的抑制剂具有活性，可用于治疗和预防疼痛、炎症性疾病以及其他受益于脂肪酸乙醇酰胺（尤其是棕榈酰乙醇酰胺（PEA））调节的疾病。
• Cerium ammonium nitrate-mediated the oxidative dimerization of p-alkenylphenols: a new synthesis of substituted (±)-trans-dihydrobenzofurans
  作者：Po-Yuan Chen、Yi-Hua Wu、Mon-Huei Hsu、Tzu-Pin Wang、Eng-Chi Wang

  DOI：10.1016/j.tet.2012.11.006

  日期：2013.1

  A new method for the preparation of substituted dihydrobenzofurans is described. The p-alkenylphenols, mediated by cerium ammonium nitrate (CAN), undergo the oxidative dimerization to generate substituted dihydrobenzofurans including (+/-)-conocarpan, (+/-)-licarin A, (+/-)-acuminatin, as well as their related substituted dihydrobenzofurans. (C) 2012 Elsevier Ltd. All rights reserved.
• LAAN, JAN A. M.;GIESEN, FREDERICUS L. L.;WARD, JAMES P., CHEM. AND IND.,(1989) N1, C. 354-355
  作者：LAAN, JAN A. M.、GIESEN, FREDERICUS L. L.、WARD, JAMES P.

  DOI：——

  日期：——
• COMBINATION THERAPIES FOR TREATING CANCER
  申请人：RedHill Biopharma Ltd.

  公开号：US20170095460A1

  公开（公告）日：2017-04-06

  Provided are methods for treating cancer in a patient by administering at least antibiotic selected from the group consisting of clofazamine, rifabutin and clarithromycin, in combination with an aryladamantane compound. In an embodiment, the aryladamantane compound is [3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide], or a pharmaceutically acceptable salt thereof.