N-methyl-4-methylpentanamide | 42763-50-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-methyl-4-methylpentanamide
• 英文别名: N,4-dimethylpentanamide；N,4-Dimethylpentanoamid；N-Methylisocapronamid
• CAS: 42763-50-8
• 化学式: C₇H₁₅NO
• mdl: MFCD19595549
• 分子量: 129.202
• InChiKey: SXFWBOTXORQGJN-UHFFFAOYSA-N

物化性质

• 沸点：
  217.1±8.0 °C(Predicted)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-methyl-4-methylpentanamide 在 lithium aluminium tetrahydride 、 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.0h， 生成 (4E,8E,12E)-N-methyl-N-(4-methylpentyl)-16,17-epoxy-4,9,13,17-tetramethyl-4,8,12-octadecatrienylamine
  参考文献：
  名称：

  Synthesis and biological activity of 19-azasqualene 2,3-epoxide as inhibitor of 2,3-oxidosqualene cyclase

  摘要：

  19-Azasqualene 2,3-epoxide and its N-oxide, high-energy intermediate analogue inhibitors of 2,3-oxidosqualene (SO) cyclase, were obtained by total synthesis. These compounds were designed to mimic the C-20 carbonium ion precursor of lanosterol formed during SO cyclization. The synthesis involved the preparation Of C22 squalenoid aldehyde epoxide through a new procedure and the reconstruction of the squalenoid chain bearing a nitrogen at C-19 (pro C-20). 19-Azasqualene 2,3-epoxide was active on SO cyclase from rat and pig liver with an IC50 of 1.5 muM in pig, while in SO cyclases of yeast (S cerevisiae and C albicans) microsomes it was 20-30-fold less active. It was inactive on squalene epoxidase from rat and pig liver at the highest concentrations tested (100 muM).

  DOI：

  10.1016/0223-5234(93)90026-b
• 作为产物：
  描述：

  4-甲基戊酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 N-methyl-4-methylpentanamide
  参考文献：
  名称：

  Synthesis and biological activity of 19-azasqualene 2,3-epoxide as inhibitor of 2,3-oxidosqualene cyclase

  摘要：

  19-Azasqualene 2,3-epoxide and its N-oxide, high-energy intermediate analogue inhibitors of 2,3-oxidosqualene (SO) cyclase, were obtained by total synthesis. These compounds were designed to mimic the C-20 carbonium ion precursor of lanosterol formed during SO cyclization. The synthesis involved the preparation Of C22 squalenoid aldehyde epoxide through a new procedure and the reconstruction of the squalenoid chain bearing a nitrogen at C-19 (pro C-20). 19-Azasqualene 2,3-epoxide was active on SO cyclase from rat and pig liver with an IC50 of 1.5 muM in pig, while in SO cyclases of yeast (S cerevisiae and C albicans) microsomes it was 20-30-fold less active. It was inactive on squalene epoxidase from rat and pig liver at the highest concentrations tested (100 muM).

  DOI：

  10.1016/0223-5234(93)90026-b

文献信息

• Pteridinone derivatives as PI3-kinases inhibitors
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1953163A1

  公开（公告）日：2008-08-06

  New compounds of formula 1 are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。
• Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings
  申请人：Allergan, Inc.

  公开号：US20160289271A1

  公开（公告）日：2016-10-06

  The present invention relates to novel cyclosporin analogs, processes for preparing them, pharmaceutical compositions containing them, and methods for using these analogs and the compositions containing them for the treatment of medical conditions, including but not limited to ocular conditions such as dry eye.

  本发明涉及新型环孢素类似物，制备它们的方法，含有它们的药物组合物，以及利用这些类似物和含有它们的组合物治疗医疗状况的方法，包括但不限于眼部状况如干眼症。
• Use of cyclosporin alkyne/alkene analogues for preventing or treating viral-induced disorders
  申请人：Molino F. Bruce

  公开号：US20070232531A1

  公开（公告）日：2007-10-04

  The present invention relates to methods of preventing or treating a mammal with a viral-induced disorder. The method involves administering to the mammal a therapeutically effective amount of a compound represented by Formula I, as shown below: or a pharmaceutically acceptable salt thereof, with X, R 0 , R 1 , and R 2 defined herein, under conditions effective to prevent or treat the viral-induced disorder.

  本发明涉及预防或治疗患有病毒诱发疾病的哺乳动物的方法。该方法涉及向哺乳动物施用以下所示的由式I表示的化合物的治疗有效量： 或其药用可接受盐，其中X，R 0 ，R 1 和R 2 在此定义，以有效地预防或治疗病毒诱发疾病。
• Use of cyclosporin alkyne analogues for preventing or treating viral-induced disorders
  申请人：Molino F. Bruce

  公开号：US20070232530A1

  公开（公告）日：2007-10-04

  The present invention relates to methods of preventing or treating a mammal with a viral-induced disorder. The method involves administering to the mammal a therapeutically effective amount of a compound represented by Formnula I, as shown below: or a pharmaceutically acceptable salt thereof, with X, R 0 , and R 1 defined herein, under conditions effective to prevent or treat the viral-induced disorder.

  本发明涉及预防或治疗患有病毒诱导性疾病的哺乳动物的方法。该方法涉及向哺乳动物施用以下所示的由Formula I代表的化合物的治疗有效量： 或其药用可接受盐，其中X、R 0 和R 1 在此定义，以有效地预防或治疗病毒诱导性疾病。
• Use of cyclosporin alkene analogues for preventing or treating viral-induced disorders
  申请人：Molino F. Bruce

  公开号：US20070232532A1

  公开（公告）日：2007-10-04

  The present invention relates to methods of preventing or treating a mammal with a viral-induced disorder. The method involves administering to the mammal a therapeutically effective amount of a compound represented by Formula I, as shown below: or a pharmaceutically acceptable salt thereof, with X, R 0 , R 1 , and R 2 defined herein, under conditions effective to prevent or treat the viral-induced disorder.

  本发明涉及预防或治疗患有病毒诱发疾病的哺乳动物的方法。该方法涉及向哺乳动物施用以下所示的由式I表示的化合物的治疗有效量： 或其药用可接受盐，其中X，R 0 ，R 1 和R 2 在此定义，在有效条件下预防或治疗病毒诱发疾病。