2-bromo-4-n-butylanisole | 78626-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-bromo-4-n-butylanisole
• 英文别名: 2-Bromo-4-butyl-1-methoxybenzene
• CAS: 78626-43-4
• 化学式: C₁₁H₁₅BrO
• 分子量: 243.143
• InChiKey: SBVBHQCEBMWOKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-4-n-butylanisole 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 8.0h， 生成 5,5'-Dibutyl-2,2'-dimethoxy-biphenyl
  参考文献：
  名称：

  Design and synthesis of novel magnolol derivatives as potential antimicrobial and antiproliferative compounds

  摘要：

  A series of novel magnolol derivatives were synthesised and evaluated for in vitro antimicrobial and antiproliferative activities. We found that most of the compounds were effective inhibitors of Staphylococcus aureus, MRSA and VRE with MIC in the range of 1-64 mu g/mL and MBC in the range of 1-128 mu g/mL. Few derivatives also exhibited promising antifungal activity. Some magnolol analogues exhibited promising antiproliferative activity than parent magnolol when tested against three human cancer cell lines. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.12.039
• 作为产物：
  描述：

  4'-甲氧基苯丁酮 在 氢氧化钾 、 溴 、 sodium acetate 、 一水合肼 作用下， 以 甲醇 、 溶剂黄146 、 二乙二醇 为溶剂， 反应 6.0h， 生成 2-bromo-4-n-butylanisole
  参考文献：
  名称：

  A Convenient Method of Obtaining 2-Cyano-4-Alkylphenols, 4-Cyanophenol and 4-Cyanoaniline

  摘要：

  DOI：

  10.1080/00268948108074677

文献信息

• N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS
  申请人：Kattar Solomon

  公开号：US20100216796A1

  公开（公告）日：2010-08-26

  The present invention relates to a novel class of N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide derivatives. The N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide compounds can be used to treat cancer. The N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide derivatives in vivo.

  本发明涉及一种新的N-羟基萘二甲酰胺和N-羟基联苯二甲酰胺衍生物。N-羟基萘二甲酰胺和N-羟基联苯二甲酰胺化合物可用于治疗癌症。N-羟基萘二甲酰胺和N-羟基联苯二甲酰胺化合物还可抑制组蛋白去乙酰化酶，并适用于选择性诱导末端分化，抑制肿瘤细胞的增殖和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物适用于治疗具有肿瘤细胞增殖特征的患者。本发明的化合物也可用于预防和治疗TRX介导的疾病，如自身免疫、过敏和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含N-羟基萘二甲酰胺和N-羟基联苯二甲酰胺衍生物的药物组合物和这些药物组合物的安全给药方案，易于遵循，并在体内产生治疗有效量的N-羟基萘二甲酰胺和N-羟基联苯二甲酰胺衍生物。
• Sphingosine Kinase Inhibitors and Methods of Their Use
  申请人：Smith Charles D.

  公开号：US20100137315A1

  公开（公告）日：2010-06-03

  The invention relates to compounds, pharmaceutical compositions thereof, and methods for inhibiting sphingosine kinase and for treating or preventing hyperproliferative disease, inflammatory disease, or angiogenic disease.

  该发明涉及化合物，其制药组合物以及抑制鞘氨醇激酶和治疗或预防过度增生性疾病，炎症性疾病或血管生成性疾病的方法。
• ADAMSKA G.; DABROWSKI R.; DZIADUSZEK J., BIUL. WAT J. DABROWSKIEGO, 1980, 29, NO 8, 93-99
  作者：ADAMSKA G.、 DABROWSKI R.、 DZIADUSZEK J.

  DOI：——

  日期：——
• THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION
  申请人：RedHill Biopharma Ltd.

  公开号：US20160113954A1

  公开（公告）日：2016-04-28

  Pharmaceutical compositions showing the ability to inhibit or suppress replication of a filovirus in an individual are disclosed. The disclosed compositions are useful for treating, reventing, or reducing the spread of infections by filovirus. A method includes administering at least one agent of the present disclosure to an individual infected with or exposed to a filovirus, wherein the step of administering is carried out for a suitable time period so that the individual is treated; and determining whether the individual has been treated, wherein the step of determining includes one of measuring an inhibition in viral replication, measuring a decrease in viral load, or reducing at least one symptom associated with the filovirus.
• 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.