4-(苯甲基)-1-哌嗪乙酸 | 24632-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(苯甲基)-1-哌嗪乙酸
• 中文别名: 4-苯基甲基-1-哌嗪乙酸肼
• 英文名称: 2-(4-benzylpiperazin-1-yl)acetohydrazide
• 英文别名: (4-benzyl-piperazin-1-yl)-acetic acid hydrazide；<4-Benzyl-piperazino>-essigsaeure-hydrazid
• CAS: 24632-70-0
• 化学式: C₁₃H₂₀N₄O
• 分子量: 248.328
• InChiKey: HPORNZWVEBQIOT-UHFFFAOYSA-N

物化性质

• 沸点：
  443.5±35.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  61.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4-(苯甲基)-1-哌嗪乙酸 在 盐酸 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  WO2008/134474

  摘要：

  公开号：
• 作为产物：
  描述：

  氯化苄 在 碳酸氢钠 、 肼 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 反应 1.5h， 生成 4-(苯甲基)-1-哌嗪乙酸
  参考文献：
  名称：

  WO2008/134474

  摘要：

  公开号：

文献信息

• [EN] DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS<br/>[FR] CONCEPTION, SYNTHÈSE ET ÉVALUATION DE COMPOSÉS ACTIVATEURS DE PROCASPASE EN TANT QUE MÉDICAMENTS ANTICANCÉREUX PERSONNALISÉS
  申请人：UNIV ILLINOIS

  公开号：WO2010091382A1

  公开（公告）日：2010-08-12

  Compositions and methods are disclosed in embodiments relating to induction of cell death such as in cancer cells. Compounds and related methods for synthesis and use thereof, including the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed that have lower neurotoxicity effects than other compounds.

  本发明公开了涉及诱导细胞死亡（例如癌细胞）的组合物和方法。公开了用于合成和使用这些化合物的相关方法，包括在癌症治疗中使用化合物以及在细胞中选择性诱导凋亡。公开了具有比其他化合物更低神经毒性效应的化合物。
• Synthesis, molecular modeling and evaluation of novel N′-2-(4-benzylpiperidin-/piperazin-1-yl)acylhydrazone derivatives as dual inhibitors for cholinesterases and Aβ aggregation
  作者：Eda Özturan Özer、Oya Unsal Tan、Keriman Ozadali、Tuba Küçükkılınç、Ayla Balkan、Gülberk Uçar

  DOI：10.1016/j.bmcl.2012.11.064

  日期：2013.1

  treatment of Alzheimer’s disease, a group of N′-2-(4-Benzylpiperidin-/piperazin-1-yl)acylhydrazones was designed, synthesized and tested for their ability to inhibit acetylcholinesterase, butyrylcholinesterase and aggregation of amyloid beta peptides (1–40, 1–42 and 1–40_1–42). The enzyme inhibition assay results indicated that compounds moderately inhibit both acetylcholinesterase and butyrylcholinesterase

  为了开发治疗阿尔茨海默氏病的新药，一组N设计，合成和测试了“ -2-（4-苄基哌啶-/哌嗪-1-基）酰基hydr”具有抑制乙酰胆碱酯酶，丁酰胆碱酯酶和淀粉样β肽聚集的能力（1–40、1–42和1–40_1– 42）。酶抑制试验结果表明，化合物可适度抑制乙酰胆碱酯酶和丁酰胆碱酯酶。β-淀粉样蛋白聚集结果表明，所有化合物均显示出显着的Aβ原纤维聚集抑制活性，与参考化合物利福平具有几乎相似的潜力，这使其成为有希望的抗阿尔茨海默氏症候选药物。进行对接实验的目的是了解最具活性的化合物与胆碱酯酶的活性位点之间的相互作用。
• Compositions and methods including cell death inducers and procaspase activation
  申请人：Hergenrother Paul J.

  公开号：US08592584B2

  公开（公告）日：2013-11-26

  Compositions and methods are disclosed in embodiments relating to induction of cell death such as in cancer cells. Compounds and related methods for synthesis and use thereof, including the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed in connection with modification of procaspases such as procaspase-3. In embodiments, compositions are capable of activation of procaspase-3.

  本实施例揭示了与诱导细胞死亡有关的组合物和方法，例如在癌细胞中。揭示了合成和使用相关化合物的方法，包括在治疗癌症和选择性诱导细胞凋亡方面使用化合物的方法。揭示了与修改前半胱氨酸蛋白酶（如前半胱氨酸蛋白酶-3）相关的化合物。在实施例中，组合物能够激活前半胱氨酸蛋白酶-3。
• Indazole compounds and methods of use thereof
  申请人：Bhagwat S. Shripad

  公开号：US20060004043A1

  公开（公告）日：2006-01-05

  This invention is directed to Indazole Compounds or pharmaceutically acceptable salts, solvates and hydrates thereof. The Indazole Compounds have utility in the treatment or prevention of a wide range of diseases and disorders that are responsive to the inhibition, modulation or regulation of kinases, such as inflammatory diseases, abnormal angiogenesis and diseases related thereto, cancer, atherosclerosis, a cardiovascular disease, a renal disease, an autoimmune condition, macular degeneration, disease-related wasting, an asbestos-related condition, pulmonary hypertension, diabetes, obesity, pain and others. Thus, methods of treating or preventing such diseases and disorders are also disclosed, as are pharmaceutical compositions comprising one or more of the Indazole Compounds. This invention is based, in part, upon the discovery of a novel class of 5-triazolyl substituted indazole molecules that have potent activity with respect to the modulation of protein kinases. Thus, the invention encompasses orally active molecules as well as parenterally active molecules which can be used at lower doses or serum concentrations for treating diseses or disorders associated with protein kinase signal transduction.

  本发明涉及吲唑化合物或其药学上可接受的盐、溶剂合物和水合物。这些吲唑化合物在治疗或预防广泛的疾病和紊乱方面具有实用性，这些疾病和紊乱对激酶的抑制、调节或调控具有反应性，例如炎症性疾病、异常血管生成及相关疾病、癌症、动脉硬化、心血管疾病、肾脏疾病、自身免疫疾病、黄斑变性、与疾病有关的消耗、石棉相关疾病、肺动脉高压、糖尿病、肥胖症、疼痛和其他疾病。因此，本发明还揭示了治疗或预防此类疾病和紊乱的方法，以及包含一种或多种吲唑化合物的药物组成物。本发明部分基于发现一类新型的5-三唑基取代吲唑分子，它们在蛋白激酶调节方面具有强效活性。因此，本发明包括口服活性分子以及可用于治疗与蛋白激酶信号转导相关的疾病或紊乱的肠外活性分子，其剂量或血清浓度较低。
• INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Bhagwat Shripad S.

  公开号：US20090099178A1

  公开（公告）日：2009-04-16

  This invention is directed to Indazole Compounds or pharmaceutically acceptable salts, solvates and hydrates thereof. The Indazole Compounds have utility in the treatment or prevention of a wide range of diseases and disorders that are responsive to the inhibition, modulation or regulation of kinases, such as inflammatory diseases, abnormal angiogenesis and diseases related thereto, cancer, atherosclerosis, a cardiovascular disease, a renal disease, an autoimmune condition, macular degeneration, disease-related wasting, an asbestos-related condition, pulmonary hypertension, diabetes, obesity, pain and others. Thus, methods of treating or preventing such diseases and disorders are also disclosed, as are pharmaceutical compositions comprising one or more of the Indazole Compounds. This invention is based, in part, upon the discovery of a novel class of 5-triazolyl substituted indazole molecules that have potent activity with respect to the modulation of protein kinases. Thus, the invention encompasses orally active molecules as well as parenterally active molecules which can be used at lower doses or serum concentrations for treating diseases or disorders associated with protein kinase signal transduction.

  本发明涉及吲唑化合物或其药学上可接受的盐、溶剂合物和水合物。这些吲唑化合物在治疗或预防许多对激酶的抑制、调节或调控具有反应性的疾病和障碍方面具有用途，例如炎症性疾病、异常血管生成及相关疾病、癌症、动脉粥样硬化、心血管疾病、肾脏疾病、自身免疫疾病、黄斑变性、与疾病相关的消耗、石棉相关疾病、肺动脉高压、糖尿病、肥胖症、疼痛等。因此，本发明还揭示了治疗或预防这些疾病和障碍的方法，以及包含一种或多种吲唑化合物的制药组合物。本发明部分基于发现一类新型的5-三唑基取代吲唑分子，这些分子在调节蛋白激酶方面具有强效活性。因此，本发明包括口服活性分子和经肠道给药的活性分子，可用于治疗与蛋白激酶信号转导相关的疾病或障碍，且可用较低剂量或血清浓度。