2-(2-溴乙氧基)-1,3-二甲基苯 | 37136-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2-溴乙氧基)-1,3-二甲基苯
• 英文名称: 2-(2-bromoethoxy)-1,3-dimethylbenzene
• 英文别名: 2-(2,6-Dimethyl-phenoxy)-1-bromo-ethane；2-(2-Bromo-ethoxy)-1,3-dimethyl-benzene
• CAS: 37136-92-8
• 化学式: C₁₀H₁₃BrO
• mdl: MFCD02030816
• 分子量: 229.117
• InChiKey: MSKAVXYLXIUCJP-UHFFFAOYSA-N

物化性质

• 沸点：
  123 °C(Press: 10 Torr)
• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  2-(2-溴乙氧基)-1,3-二甲基苯 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 为溶剂， 生成 trans-2-<2,6-Dimethyl-phenoxy>-1-trimethylammonio-cyclopropan-iodid
  参考文献：
  名称：

  o，o′-二取代的苯基环丙胺。

  摘要：

  DOI：

  10.1021/jm00302a028
• 作为产物：
  描述：

  在 lithium bromide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以74.2%的产率得到2-(2-溴乙氧基)-1,3-二甲基苯
  参考文献：
  名称：

  Zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers

  摘要：

  Four zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers have been synthesized and characterized by spectroscopic methods and HR-MS or elemental analysis. The solid state structure of bis[{6-(2,6-dimethylphenoxy)hexyl}cyclopentadienyl]zirconium dichloride was determined by single crystal X-ray diffraction. The prepared complexes were tested as catalyst precursors in the polymerization of ethylene upon activation with MAO. The results showed a marked effect of the spacer length on the catalytic activity, while only a minor effect of the substitution on the aryl group, which affected its steric properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.066

文献信息

• Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1<i>H</i>-benzimidazole Derivatives
  作者：Ravi Shashi Nayana Munuganti、Eric Leblanc、Peter Axerio-Cilies、Christophe Labriere、Kate Frewin、Kriti Singh、Mohamed D. H. Hassona、Nathan A. Lack、Huifang Li、Fuqiang Ban、Emma Tomlinson Guns、Robert Young、Paul S. Rennie、Artem Cherkasov

  DOI：10.1021/jm3015712

  日期：2013.2.14

  The human androgen receptor (AR) is a proven therapeutic target in prostate cancer. All current antiandrogens, such as Bicalutamide, Flutamide, Nilutamide, and Enzalutamide, target the buried hydrophobic androgen binding pocket of this protein. However, effective resistance mechanisms against these therapeutics exist such as mutations occurring at the target site. To overcome these limitations, the

  人类雄激素受体（AR）是前列腺癌中公认的治疗靶标。当前所有的抗雄激素药，例如比卡鲁胺，氟他米特，尼鲁米特和恩杂鲁米特，都靶向该蛋白的隐埋的疏水性雄激素结合袋。然而，存在对这些治疗剂的有效抗性机制，例如在靶位点发生的突变。为了克服这些限制，AR的称为结合功能3（BF3）的表面囊被表征为小分子治疗剂的替代靶标。许多AR抑制剂直接靶向 的先前由我们（标识药物化学杂志。 2011。54，8563）。在当前的研究中，基于先前的结果，我们开发了结构-活性关系，从而可以设计一系列2-（（2-苯氧基乙基）硫基）-1 H-苯并咪唑和2-（（2-苯氧基乙基）硫基） -1 H-吲哚作为铅 抑制剂。一些已开发的 配体对LNCaP和耐恩杂鲁胺的前列腺癌细胞系表现出显着的抗雄激素作用。
• Synthesis, antimicrobial evaluation, and in silico studies of quinoline—1H-1,2,3-triazole molecular hybrids
  作者：Paul Awolade、Nosipho Cele、Nagaraju Kerru、Parvesh Singh

  DOI：10.1007/s11030-020-10112-3

  日期：2021.11

  copper(I)-catalyzed azide-alkyne [3 + 2] dipolar cycloaddition reaction (CuAAC). Antimicrobial evaluation identified compound 16 as the most active hybrid in the library with a broad-spectrum antibacterial activity at an MIC80 value of 75.39 μM against methicillin-resistant S. aureus, E. coli, A. baumannii, and multidrug-resistant K. pneumoniae. The compound also showed interesting antifungal profile against C.

  摘要 抗菌素耐药性已成为对全球公共卫生的重大威胁，因此迫切需要具有改善治疗效果的新药。在这方面，分子杂交被认为是提供多靶点候选药物的可行策略。在此，我们报告了通过铜 (I) 催化的叠氮化物-炔烃 [3 + 2] 偶极环加成反应 (CuAAC) 合成的喹啉—1 H -1,2,3-三唑分子杂化物库。抗菌评估确定化合物16是文库中最活跃的杂合体，对耐甲氧西林金黄色葡萄球菌、大肠杆菌、鲍曼不动杆菌的 MIC 80值为 75.39 μM，具有广谱抗菌活性。和多重耐药肺炎克雷伯菌。该化合物还显示出有趣的抗白色念珠菌和新型念珠菌的抗真菌特性，MIC 80值分别为 37.69 和 2.36 μM，优于氟康唑。体外毒性分析显示对人红细胞 (hRBC) 无溶血活性，但对人胚胎肾细胞 (HEK293) 有部分细胞毒性。此外，计算机研究预测了优异的药物样特性以及三唑环在稳定与靶蛋白络合方面的重要性。总体而言，这些
• Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I)
  作者：Xiaoke Guo、Xianglei Ma、Qian Yang、Jing Xu、Lu Huang、Jianmin Jia、Jiaojiao Shan、Li Liu、Weilin Chen、Hongxi Chu、Jinlian Wei、Xiaojin Zhang、Haopeng Sun、Yiqun Tang、Qidong You

  DOI：10.1016/j.ejmech.2014.03.075

  日期：2014.6

  and safe therapeutic target for the treatment of atrial fibrillation (AF), the most common arrhythmia that threatens human. Herein, by modifying the hit compound 7k from an in-house database, 48 derivatives were synthesized for the assay of their Kv1.5 inhibitory effects by whole cell patch clamp technique. Six compounds which showed better potency than the positive compound dronedarone were selected

  Kv1.5钾通道是一种治疗房颤（AF）的有效且安全的治疗靶标，它是威胁人类的最常见心律不齐。本文中，通过从内部数据库中修改命中化合物7k，合成了48种衍生物，以通过全细胞膜片钳技术测定其Kv1.5抑制作用。选择了六种显示出比阳性化合物决奈达隆更好的效价的化合物用于其类药物性质的下一个评估。化合物8显示出平衡的溶解度和渗透性。它还显示出可接受的药效学特征，急性毒性非常低。考虑到所有这些数据，化合物8 可以作为开发用于治疗AF的新型治疗剂的有希望的先导。
• Piperazines and therapeutic utility
  申请人：Laroche Navarron S.A.

  公开号：US04259334A1

  公开（公告）日：1981-03-31

  The invention relates to compounds having the formula: ##STR1## in which: the substituents R.sub.1, R.sub.2 and R.sub.3 represent independently from each other a hydrogen atom, a halogen atom, a trifluoromethyl radical, a saturated or unsaturated straight- or branched-chain C.sub.1-6 alkyl radical, a C.sub.1-6 alkoxy radical the alkyl moiety of which may be saturated or unsaturated and straight- or branched-chained, a benzyloxy radical or a hydroxy radical; the substituents R.sub.5, R.sub.6 and R.sub.7 represent independently from each other a hydrogen atom, a halogen atom, a trifluoromethyl radical, a straight- or branched-chain saturated or unsaturated C.sub.1-6 alkyl radical, a C.sub.1-6 alkoxy radical the alkyl moiety of which may be saturated or unsaturated and straight- or branched-chained, or a hydroxy radical; the substituent R.sub.4 represents a hydrogen atom, a C.sub.1-6 alkyl radical or a hydroxy radical, m and n represent independently a number equal to 0, 1 or 2, X represents an oxygen atom, a sulfur atom or a single bond, and their pharmaceutically acceptable acid addition salts. These compounds are therapeutically useful for the control of the cardiovascular system.

  该发明涉及具有以下结构的化合物：##STR1##其中：取代基R.sub.1、R.sub.2和R.sub.3分别独立地表示氢原子、卤素原子、三氟甲基基团、饱和或不饱和的直链或支链C.sub.1-6烷基基团、其烷基部分可能是饱和或不饱和的直链或支链、苄氧基基团或羟基基团；取代基R.sub.5、R.sub.6和R.sub.7分别独立地表示氢原子、卤素原子、三氟甲基基团、直链或支链饱和或不饱和的C.sub.1-6烷基基团、其烷基部分可能是饱和或不饱和的直链或支链、或羟基基团；取代基R.sub.4表示氢原子、C.sub.1-6烷基基团或羟基基团，m和n分别独立地表示等于0、1或2的数字，X表示氧原子、硫原子或单键，以及它们的药学上可接受的酸盐。这些化合物在治疗心血管系统方面具有治疗作用。
• [EN] BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT<br/>[FR] DÉRIVÉS BENZIMIDAZOLE EN TANT QUE BLOQUEURS SÉLECTIFS DU COURANT DE SODIUM PERSISTANT
  申请人：ALLERGAN INC

  公开号：WO2013101926A1

  公开（公告）日：2013-07-04

  The present invention is directed to methods of treating diseases or conditions mediated by elevated persistent sodium channel, such as ocular disorders, pain, multiple sclerosis, and seizure disorders utilizing a compound of Formula (I) or a pharmaceutically acceptable salt thereof or a pharmaceutical composition comprising said compound, wherein variables R, R1, R2, R3, R4, R5, m, and n in Formula (I) are as defined herein.

  本发明涉及治疗由持续性钠通道升高介导的疾病或症状的方法，例如眼部疾病、疼痛、多发性硬化和癫痫症，利用化合物I的方法或其药学上可接受的盐或包含该化合物的药物组合物，其中化合物I中的变量R、R1、R2、R3、R4、R5、m和n如本文所定义。