5-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine | 13550-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine
• 英文别名: 5-methyl-4-phenyl-1,2,3,6-tetrahydropyridine；3-Methyl-4-phenyl-1,2,5,6-tetrahydropyridin；4-Phenyl-3-methyl-1,2,5,6-tetrahydropyridin
• CAS: 13550-69-1
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: CYQDZGIHICPOHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine 在 N-甲基吗啉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Discovery of a Potent, Selective, and Orally Active Human Epidermal Growth Factor Receptor-2 Sheddase Inhibitor for the Treatment of Cancer

  摘要：

  The design, synthesis, evaluation, and identification of a novel class of (6S,7S)-N-hydroxy-6-carboxamide-5-azaspiro[2.5]octane-7-carboxamides as the first potent and selective inhibitors of human epidermal growth factor receptor-2 (HER-2) sheddase is described. Several compounds were identified that possess excellent pharmacodynamic and pharmacokinetic properties and were shown to decrease tumor size, cleaved HER-2 extracellular domain plasma levels, and potentiate the effects of the humanized anti-HER-2 monoclonal antibody (trastuzumab) in vivo in a HER-2 overexpressing cancer murine xenograft model.

  DOI：

  10.1021/jm061344o
• 作为产物：
  描述：

  1-苄基-3-甲基-4-哌啶酮 在 磷酸 、 phosphorus pentoxide 、 氯甲酸乙酯 作用下， 以 乙醚 、 1,2-二氯乙烷 为溶剂， 反应 14.0h， 生成 5-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine
  参考文献：
  名称：

  INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF

  摘要：

  公开号：

  EP1714961B1

文献信息

• Indol-3-y-carbonyl-piperidin and piperazin-derivatives
  申请人：Bissantz Caterina

  公开号：US20070027163A1

  公开（公告）日：2007-02-01

  The present invention relates to indol-3-yl-carbonyl-piperidin and piperazin derivatives which act as V1a receptor antagonists and which are represented by Formula I: wherein the residues R 1 to R 3 are as defined herein. The invention also relates to pharmaceutical compositions containing such compounds, and methods for preparation of the compounds and compositions. The invention further relates to methods for treating dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety and depressive disorders.

  本发明涉及作为V1a受体拮抗剂的吲哒-3-基甲酰哌啶和哌嗪衍生物，其由以下式I表示：其中残基R1至R3如本文所定义。该发明还涉及含有这种化合物的药物组合物，以及制备这些化合物和组合物的方法。该发明还涉及治疗痛经、高血压、慢性心力衰竭、抗利尿素过度分泌、肝硬化、肾病综合征、强迫症、焦虑和抑郁症的方法。
• Indazole compound and pharmaceutical use thereof
  申请人：Takemiya Akihiro

  公开号：US20070173537A1

  公开（公告）日：2007-07-26

  The present invention can provide a cancer treatment drug containing, as an active ingredient, a substance selected from the group consisting of an indazole compound of the following formula (I), a pharmaceutically acceptable salt, a hydrate, a water adduct and a solvate:

  本发明可以提供一种癌症治疗药物，其包含以下公式（I）中的吲唑化合物、药用可接受盐、水合物、水加合物和溶剂化物等物质中所选的一种作为活性成分：
• INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES
  申请人：Bissantz Caterina

  公开号：US20120040990A1

  公开（公告）日：2012-02-16

  The present invention relates to indol-3-yl-carbonyl-piperidin and piperazin derivatives which act as V1a receptor antagonists and which are represented by Formula I: wherein the residues R 1 to R 3 are as defined herein. The invention also relates to pharmaceutical compositions containing such compounds, and methods for preparation of the compounds and compositions. The invention further relates to methods for treating dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety and depressive disorders.

  本发明涉及一种作为V1a受体拮抗剂的吲哚-3-基甲酰基哌啶和哌嗪衍生物，其由式I表示：其中残基R1至R3如本文所定义。本发明还涉及含有此类化合物的制药组合物，以及制备该化合物和组合物的方法。本发明还涉及治疗痛经、高血压、慢性心力衰竭、不适当分泌加压素、肝硬化、肾病综合征、强迫症、焦虑和抑郁症的方法。
• Indol-3-yl-carbonyl-piperidin and piperazin derivatives
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2392571A2

  公开（公告）日：2011-12-07

  The present invention relates to indol-3-yl-carbonyl-piperidin and piperazin derivatives which act as V1a receptor antagonists and which are represented by Formula I: wherein the residues R1 to R3 are as defined herein. The invention further relates to pharmaceutical compositions containing such compounds, their use in medicaments against dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxious and depressive disorders, and methods of preparation thereof.

  本发明涉及可作为 V1a 受体拮抗剂的吲哚-3-羰基哌啶和哌嗪衍生物，它们由式 I 表示： 其中残基 R1 至 R3 如本文所定义。本发明进一步涉及含有此类化合物的药物组合物，它们在治疗痛经、高血压、慢性心力衰竭、血管加压素分泌不当、肝硬化、肾病综合征、强迫症、焦虑症和抑郁症的药物中的用途及其制备方法。
• INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1917255A2

  公开（公告）日：2008-05-07