(2-Nitro-4-piperidin-1-ylmethyl-phenyl)phenyl-amine | 509093-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2-Nitro-4-piperidin-1-ylmethyl-phenyl)phenyl-amine
• 英文别名: 2-nitro-N-phenyl-4-(piperidin-1-ylmethyl)aniline
• CAS: 509093-73-6
• 化学式: C₁₈H₂₁N₃O₂
• 分子量: 311.384
• InChiKey: RXZNALCKMKKOIG-UHFFFAOYSA-N

物化性质

• 沸点：
  454.3±40.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Nitro-4-piperidin-1-ylmethyl-phenyl)phenyl-amine 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 N1-phenyl-4-piperidin-1-ylmethyl-benzene-1,2-diamine
  参考文献：
  名称：

  Discovery of potent, selective, and orally bioavailable inhibitors of interleukin-1 receptor-associate kinase-4

  摘要：

  In this Letter, we report the continued optimization of the N-acyl-2-aminobenzimidazole series, focusing in particular on the N-alkyl substituent and 5-position of the benzimidazole based on the binding mode and the early SAR. These efforts led to the discovery of 16, a highly potent, selective, and orally bioavailable inhibitor of IRAK-4. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.060
• 作为产物：
  描述：

  4-氟-3-硝基苄醇 在 sodium hypochlorite 、 2,2,6,6-四甲基哌啶氧化物 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 N,N-二异丙基乙胺 、 potassium bromide 作用下， 以 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 生成 (2-Nitro-4-piperidin-1-ylmethyl-phenyl)phenyl-amine
  参考文献：
  名称：

  Discovery of potent, selective, and orally bioavailable inhibitors of interleukin-1 receptor-associate kinase-4

  摘要：

  In this Letter, we report the continued optimization of the N-acyl-2-aminobenzimidazole series, focusing in particular on the N-alkyl substituent and 5-position of the benzimidazole based on the binding mode and the early SAR. These efforts led to the discovery of 16, a highly potent, selective, and orally bioavailable inhibitor of IRAK-4. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.060

文献信息

• Benzimidazole derivatives
  申请人：Tularik, Inc

  公开号：US20030144286A1

  公开（公告）日：2003-07-31

  Compounds, pharmaceutical compositions and methods are provided that are useful in the treatment of inflammatory and immune-related conditions or disorders. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation. The subject compounds are 2-amino-imidazole derivatives.

  提供了在治疗炎症和免疫相关疾病或疾病中有用的化合物、药物组合物和方法。具体来说，该发明提供了调节参与炎症、免疫反应调节和细胞增殖的蛋白质的表达和/或功能的化合物。这些化合物是2-氨基咪唑衍生物。
• IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF
  申请人：Stockwell Brent R.

  公开号：US20100022637A1

  公开（公告）日：2010-01-28

  Small molecule screening via high-throughput screening (HTS) methods was employed to identify compounds useful for treating or preventing cancer (such as compounds that enable cells to overcome E6-oncoprotein-mediated drug resistance) or neurodegenerative disorders (such as Huntington's disease, HD). Compounds were identified that potentiate the lethality of anti-tumor agents as well as rescue a disease-state lethality. These compounds are acylated secondary amines referred to herein as indoxins and revertins.

  高通量筛选（HTS）方法通过小分子筛选，用于鉴定可用于治疗或预防癌症（例如使细胞克服E6致癌蛋白介导的药物耐药性的化合物）或神经退行性疾病（例如亨廷顿病，HD）的化合物。已鉴定出可增强抗肿瘤药物的致死性并挽救疾病状态致死性的化合物。这些化合物是称为indoxins和revertins的酰化次级胺。
• BENZIMIDAZOLE DERIVATIVES
  申请人：Frenkel Alexander David

  公开号：US20100048565A1

  公开（公告）日：2010-02-25

  Compounds, pharmaceutical compositions and methods are provided that are useful in the treatment of inflammatory and immune-related conditions or disorders. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation. The subject compounds are 2-amino-imidazole derivatives.

  本发明提供了在治疗炎症和免疫相关的疾病或疾病中有用的化合物、制药组合物和方法。特别地，本发明提供了能够调节参与炎症、免疫反应调节和细胞增殖的蛋白质的表达和/或功能的化合物。这些化合物是2-氨基咪唑衍生物。
• Electrochemical deblocking solution for electrochemical oligomer synthesis on an electrode array
  申请人：CustomArray, Inc.

  公开号：US10006131B1

  公开（公告）日：2018-06-26

  There is disclosed an electrochemical deblocking solution for use on an electrode microarray. There is further disclosed a method for electrochemical synthesis on an electrode array using the electrochemical deblocking solution. The solution and method are for removing acid-labile protecting groups for synthesis of oligonucleotides, peptides, small molecules, or polymers on a microarray of electrodes while substantially improving isolation of deblocking to active electrodes. The method comprises applying a voltage or a current to at least one electrode of an array of electrodes. The array of electrodes is covered by the electrochemical deblocking solution.

  本发明公开了一种用于电极微阵列的电化学解锁溶液。还进一步公开了一种使用该电化学解锁溶液在电极阵列上进行电化学合成的方法。该溶液和方法用于去除酸性保护基团，以便在电极微阵列上合成寡核苷酸、肽、小分子或聚合物，同时大幅提高与活性电极的解锁隔离度。该方法包括向电极阵列中的至少一个电极施加电压或电流。电极阵列被电化学解锁溶液覆盖。
• High efficiency, small volume nucleic acid synthesis
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US10407676B2

  公开（公告）日：2019-09-10

  The disclosure generally relates to compositions and methods for the production of nucleic acid molecules. In some aspects, the invention allows for the microscale generation of nucleic acid molecules, optionally followed by assembly of these nucleic acid molecules into larger molecules. In some aspects, the invention allows for efficient production of nucleic acid molecules (e.g., large nucleic acid molecules such as genomes).

  本发明一般涉及生产核酸分子的组合物和方法。在某些方面，本发明可以微量生成核酸分子，然后将这些核酸分子组装成更大的分子。在某些方面，本发明可高效生产核酸分子（如基因组等大核酸分子）。