4-n-butyl-1-(3-chlorophenyl)piperazine | 141526-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-n-butyl-1-(3-chlorophenyl)piperazine
• 英文别名: 1-Butyl-4-(3-chloro-phenyl)-piperazine；1-butyl-4-(3-chlorophenyl)piperazine
• CAS: 141526-94-5
• 化学式: C₁₄H₂₁ClN₂
• 分子量: 252.787
• InChiKey: RFXLVCWTPBARCS-UHFFFAOYSA-N

物化性质

• 沸点：
  359.6±37.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 1-(3-氯苯基)哌嗪 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 8.0h， 生成 4-n-butyl-1-(3-chlorophenyl)piperazine
  参考文献：
  名称：

  中枢神经系统制剂的结构活性关系研究。5.烃链对4-取代的1-（3-氯苯基）哌嗪对5-HT1A受体位点的亲和力的影响。

  摘要：

  研究了模型4-取代的1-（3-氯苯基）哌嗪12-31的烃链对其对5-HT1A受体位点的亲和力的影响。发现4-正烷基链的延长强烈增加了所研究化合物的5-HT1A亲和力。正己基衍生物20的亲和力达到最大值（Ki ＝ 2.67nM）。已表明1-芳基哌嗪的N-4取代基的疏水相互作用显着地促进了它们的5-HT1A亲和力。特异性结合常数定义为在生理条件下化合物的质子化物质的受体亲和力。Ki（AH +）的范围为1-3 x 10（-11）M是在5-HT1A受体位点上所研究化合物类别的特定亲和力极限。

  DOI：

  10.1021/jm00091a004

文献信息

• Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents
  申请人：Sattigeri Vishwajanani Jitendra

  公开号：US20090048186A1

  公开（公告）日：2009-02-19

  The present invention relates to monosaccharide derivatives as anti-inflammatory agents. The compounds disorder herein can be useful for inhibition and prevention of inflammation and associated pathologies including inflammatory and autoimmune diseases such as bronchial asthma, rheumatoid arthritis, type I diabetes, multiple sclerosis, allograft rejection, psoriasis, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis and allergic rhinitis. Pharmacological compositions containing compounds disclosed herein and the methods of treating bronchial asthma, chronic obstructive pulmonary disease, rheumatoid arthritis, multiple sclerosis, type I diabetes, psoriasis, allograft rejection, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis, allergic rhinitis and other inflammatory and/or autoimmune disorders, using the compounds are also provided.

  本发明涉及单糖衍生物作为抗炎剂。本发明的化合物可用于抑制和预防炎症及相关病理，包括炎症和自身免疫疾病，如支气管哮喘、类风湿性关节炎、I型糖尿病、多发性硬化症、异体移植排斥、银屑病、炎症性肠病、溃疡性结肠炎、痤疮、动脉粥样硬化、癌症、瘙痒和过敏性鼻炎。还提供了含有本发明披露的化合物的药物组合物，以及使用这些化合物治疗支气管哮喘、慢性阻塞性肺病、类风湿性关节炎、多发性硬化症、I型糖尿病、银屑病、异体移植排斥、炎症性肠病、溃疡性结肠炎、痤疮、动脉粥样硬化、癌症、瘙痒、过敏性鼻炎以及其他炎症性和/或自身免疫障碍的方法。
• 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS
  申请人：Berardi Francesco

  公开号：US20090093493A1

  公开（公告）日：2009-04-09

  The invention relates to a new class of compounds, which are 1-phenylalcoxy-2-β-phenylethyl derivatives, as P-glycoprotein (P-GP) inhibitors. These compounds are useful in drug resistance events. They have been shown able to inhibit in a dose-dependent manner Glycoprotein-P (P-gp) activity in cell lines in which the expression of said glycoprotein is very high, like Caco-2 (human colon cancer) cells and MCF7/Adr (adriamycin-resistant human breast carcinoma) cells. The invention also relates to methods of production and the utilization of such compounds as medicaments useful in the treatment of states linked to the difficulty for some drugs to cross the blood-brain barrier (BBB) and generally within the context of the problems of drug resistance induced by chemotherapy agents.

  该发明涉及一类新化合物，即1-苯基羟基-2-β-苯乙基衍生物，作为P-糖蛋白（P-GP）抑制剂。这些化合物在药物耐药事件中很有用。已经证明它们能够以剂量依赖的方式抑制细胞系中的糖蛋白-P（P-gp）活性，其中所述糖蛋白的表达非常高，如Caco-2（人类结肠癌）细胞和MCF7/Adr（阿霉素耐药的人类乳腺癌）细胞。该发明还涉及生产方法和利用这类化合物作为药物的方法，用于治疗与某些药物跨越血脑屏障（BBB）困难相关的状态，以及在化疗药物引起的药物耐药问题背景下的一般情况。
• ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF
  申请人：COUNCIL OF SCIENTIFIC & INDUSTRIAL rESEARCH

  公开号：US20160304442A1

  公开（公告）日：2016-10-20

  The present invention relates to substituted aryl naphthyl methanone oximes of general formula (I), their process for preparation and their derivatives, salts, pharmaceutical composition thereof and their use in treatment of chronic myelogenous leukemia, acute myelogenous leukemia, lymphoma, multiple myeloma, solid tumor forming cell- lines including such as breast cancer, endometrial cancer colon cancer, prostate cancer and killing of drug resistant cancer stem cells, as subject in need thereof.
• US4755512A
  申请人：——

  公开号：US4755512A

  公开（公告）日：1988-07-05
• US4895846A
  申请人：——

  公开号：US4895846A

  公开（公告）日：1990-01-23