4-(dimethylamino)-N-(3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl)benzamide | 634908-59-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(dimethylamino)-N-(3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl)benzamide
• 英文别名: 4-dimethylamino-N-[3-(2,2-dimethyltetrahydropyran-4-yl)-4-phenylbutyl]benzamide；4-(dimethylamino)-N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]benzamide
• CAS: 634908-59-1
• 化学式: C₂₆H₃₆N₂O₂
• 分子量: 408.584
• InChiKey: FFXCJDPELDLZSM-UHFFFAOYSA-N

物化性质

• 沸点：
  587.2±35.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanenitrile 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 4-(dimethylamino)-N-(3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl)benzamide
  参考文献：
  名称：

  Synthesis and Activity of Putative Small-Molecule Inhibitors of the F-Box Protein SKP2

  摘要：

  据报道，四氢吡喃 4-(((3-(2,2-二甲基四氢-2H-吡喃-4-基)-4-苯基丁基)氨基)甲基)-N,N-二甲基苯胺能破坏 SCFSKP2 E3 连接酶复合物。本文介绍了这种四氢吡喃衍生物及其类似物（包括去二甲基衍生物 4-(((3-(四氢-2H-吡喃-4-基)-4-苯基丁基)氨基)甲基)-N,N-二甲基苯胺）的高效合成。利用 Evans 手性助剂获得了去二甲基化合物的对映体。通过测量 HeLa 细胞中的生长抑制活性，确定了这些四氢吡喃及其类似物的结构-活性关系，结果表明其非特异性作用机制与抑制剂的亲脂性有关。不过，(R)- 和 (S)-4-(((3-(tetrahydro-2H-pyran-4-yl)-4-phenylbutyl)amino)methyl)-N,N-dimethylaniline 的初步数据显示，在一种作为 SKP2 活性报告物的基于细胞的检测中，对映选择性地抑制了 p27 的降解。

  DOI：

  10.1071/ch14586

文献信息

• Compounds useful for the treatment of cancer, compositions thereof and methods therewith
  申请人：McKenna Jeffrey

  公开号：US20060142352A1

  公开（公告）日：2006-06-29

  The present invention generally relates to compounds and compositions useful for the modulation of ligase activity. The invention further relates to Compounds of the Invention, compositions thereof, and methods for treating or preventing cancer, a neoplastic disorder, acute or chronic renal failure, an inflammatory disorder, an immune disorder, a cardiovascular disease, an effect of aging or an infectious disease comprising administering an effective amount of a Compound of the Invention. The invention further relates to the use of a Compound of the Invention as a preservative of a cell, blood, tissue or an organ or as an agent to modulate stem cells.

  本发明通常涉及用于调节连接酶活性的化合物和组合物。本发明进一步涉及本发明的化合物、其组合物以及用于治疗或预防癌症、肿瘤性疾病、急性或慢性肾衰竭、炎症性疾病、免疫性疾病、心血管疾病、衰老影响或传染性疾病的方法，包括给予本发明的化合物的有效量。本发明进一步涉及使用本发明的化合物作为细胞、血液、组织或器官的保护剂或调节干细胞的药剂。
• COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH
  申请人：McKenna Jeffrey

  公开号：US20060030617A1

  公开（公告）日：2006-02-09

  The present invention generally relates to compounds and compositions useful for the modulation of ligase activity. The invention further relates to Compounds of the Invention, compositions thereof, and methods for treating or preventing cancer, a neoplastic disorder, acute or chronic renal failure, an inflammatory disorder, an immune disorder, a cardiovascular disease, an effect of aging or an infectious disease comprising administering an effective amount of a Compound of the Invention. The invention further relates to the use of a Compound of the Invention as a preservative of a cell, blood, tissue or an organ or as an agent to modulate stem cells.

  本发明通常涉及用于调节连接酶活性的化合物和组合物。本发明进一步涉及本发明中的化合物、其组合物以及用于治疗或预防癌症、恶性肿瘤、急性或慢性肾功能衰竭、炎症性疾病、免疫性疾病、心血管疾病、衰老影响或传染性疾病的方法，包括给予本发明中的化合物的有效量。本发明还涉及将本发明中的化合物用作细胞、血液、组织或器官的保护剂或调节干细胞的药物。
• EP1551388A4
  申请人：——

  公开号：EP1551388A4

  公开（公告）日：2009-07-15
• US7037936B2
  申请人：——

  公开号：US7037936B2

  公开（公告）日：2006-05-02
• [EN] COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH<br/>[FR] COMPOSES UTILES DANS LE TRAITEMENT DU CANCER, COMPOSITIONS ET PROCEDES CORRESPONDANTS
  申请人：SIGNAL PHARM INC

  公开号：WO2003105774A2

  公开（公告）日：2003-12-24

  The present invention generally relates to compounds and compositions useful for the modulation of ligase activity. The invention further relates to Compounds of the Invention, compositions thereof, and methods for treating or preventing cancer, a neoplastic disorder, acute or chronic renal failure, an inflammatory disorder, an immune disorder, a cardiovascular disease, an effect of aging or an infectious disease comprising administering an effective amount of a Compound of the Invention. The invention further relates to the use of a Compound of the Invention as a preservative of a cell, blood, tissue or an organ or as an agent to modulate stem cells.