4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol | 940061-41-6

• 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: 4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol
• 英文别名: SW 209089-1；1-[2-hydroxy-4-(4-bromophenyl)butyl]imidazole；4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride；4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol
• CAS: 940061-41-6
• 化学式: C₁₃H₁₅BrN₂O
• 分子量: 295.179
• InChiKey: PGYLKGZUIGUTTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol 在 phosphorus pentoxide 、 对甲苯磺酸 、 二甲基亚砜 作用下， 以 甲苯 为溶剂， 反应 83.67h， 生成 1-((2-(2-(4-bromophenyl)ethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazole
  参考文献：
  名称：

  WO2008/151437

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(3-丁烯-1-基)溴苯 在 过氧乙酸 、 sodium acetate 、 sodium hydride 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol
  参考文献：
  名称：

  WO2008/151437

  摘要：

  公开号：

文献信息

• Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System
  申请人：Gupta Ajay

  公开号：US20110319459A1

  公开（公告）日：2011-12-29

  Disclosed are compounds of the general formula (I): TC n D  (I), compositions comprising an effective amount of said compounds either alone or in combination with other chemotherapeutic agents, and methods useful for treating or preventing cancer and for inhibiting tumour tissue growth. These compounds attenuate the oxidative damage associated with increased heme-oxygenase activity and can reduce cell proliferation in transformed cells. In addition, the described compounds and compositions are useful as neuroprotectants and for treating or preventing neurodegenerative disorders and other diseases of the central nervous system.

  本发明涉及一般式（I）的化合物：TCnD（I），包括单独使用或与其他化疗药物联合使用的有效量的该化合物的组合物，以及用于治疗或预防癌症和抑制肿瘤组织生长的有用方法。这些化合物减弱了与增加血红素氧合酶活性相关的氧化损伤，并可以减少转化细胞中的细胞增殖。此外，所述化合物和组合物可用作神经保护剂，并用于治疗或预防中枢神经系统的神经退行性疾病和其他疾病。
• Methods of treating cancer with imidazolyl compounds
  申请人：Osta Biotechnologies

  公开号：US07943650B2

  公开（公告）日：2011-05-17

  Disclosed in certain embodiments is a method of treating and/or mitigating prostate cancer, ovarian cancer, melanoma, colorectal cancer, breast cancer or lung cancer, comprising administering to an individual in need thereof a pharmaceutical composition comprising a pharmaceutically acceptable carrier and a compound of formula (I): where T is optionally substituted phenyl; n is 1 to 6: C represents optionally substituted carbon; and D is imidazolyl; or a pharmaceutically acceptable salt or ester of said compound.

  在某些实施例中，揭示了一种治疗和/或缓解前列腺癌、卵巢癌、黑色素瘤、结肠直肠癌、乳腺癌或肺癌的方法，包括向需要该方法的个体给予含有以下化合物的制药组合物：公式（I）中的化合物，其中T是可选取代的苯基；n为1到6；C表示可选取代的碳；D是咪唑基；或者其药学上可接受的盐或酯。该制药组合物还包括药学上可接受的载体。
• Substituted imidazole derivatives and methods of use thereof for treating cancer
  申请人：Gupta Ajay

  公开号：US08513294B2

  公开（公告）日：2013-08-20

  Disclosed are compounds of the general formula (I): compositions comprising an effective amount of said compounds either alone or in combination with other chemotherapeutic agents, and methods useful for treating or preventing cancer and for inhibiting tumor tissue growth. These compounds attenuate the oxidative damage associated with increased heme-oxygenase activity and can reduce cell proliferation in transformed cells. In addition, the described compounds and compositions are useful as neuroprotectants and for treating or preventing neurodegenerative disorders and other diseases of the central nervous system.

  本发明公开了一般式(I)的化合物：包含所述化合物的有效量的组合物，单独使用或与其他化疗药物联合使用，以及用于治疗或预防癌症和抑制肿瘤组织生长的方法。这些化合物可以减轻与增加血红素氧合酶活性相关的氧化损伤，并且可以减少转化细胞的细胞增殖。此外，所述化合物和组合物可用作神经保护剂，并用于治疗或预防中枢神经系统的神经退行性疾病和其他疾病。
• Methods and Compositions for Selective and Targeted Cancer Therapy
  申请人：BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US20160200695A1

  公开（公告）日：2016-07-14

  Provided herein are methods and compositions for selective and targeted cancer therapy, in particular certain benzothiophenes, benzothiazoles, oxalamides, N-acyl ureas and chromones, and their use in selectively treating certain adenocarcinomas. In some embodiments, the selective toxicity of the compounds may be mediated through SCD1 and/or CYP450 such as CYP4F11.

  本文提供了一种选择性和靶向癌症治疗的方法和组合物，特别是某些苯并噻吩、苯并噻唑、草酰胺、N-酰基脲和香豆素，以及它们在选择性治疗某些腺癌中的应用。在某些实施例中，化合物的选择性毒性可以通过SCD1和/或CYP450（如CYP4F11）介导。
• Heme oxygenase inhibition by 2-oxy-substituted 1-(1H-imidazol-1-yl)-4-phenylbutanes: Effect of halogen substitution in the phenyl ring
  作者：Gheorghe Roman、John G. Riley、Jason Z. Vlahakis、Robert T. Kinobe、James F. Brien、Kanji Nakatsu、Walter A. Szarek

  DOI：10.1016/j.bmc.2007.02.034

  日期：2007.5

  A series of 2-oxy-substituted 1-(1H-imidazol-1-yl)-4-phenylbutanes comprising imidazole-ketones, imidazole-dioxolanes, and imidazole-alcohols substituted with halogens in the phenyl ring were synthesized and evaluated as novel inhibitors of heme oxygenase which are structurally distinct from metalloporphyrins. The entire library of compounds was found to be highly active, with the bromine- and iodine-substituted derivatives being the most potent. The imidazole dioxolanes were all selective for the HO-1 isozyme (inducible) and exhibited substantially lower activity toward the HO-2 isozyme (constitutive). The corresponding imidazole-ketones and imidazole-alcohols showed selectivity toward HO-1 to a lesser degree than the similarly substituted imidazole-dioxotanes. (c) 2007 Elsevier Ltd. All rights reserved.