N-methyl-N-(2-oxoethyl)butylamide | 1082275-29-3

• 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-N-(2-oxoethyl)butylamide
• 英文别名: N-methyl-N-(2-oxoethyl)butanamide
• CAS: 1082275-29-3
• 化学式: C₇H₁₃NO₂
• mdl: MFCD11583187
• 分子量: 143.186
• InChiKey: SUWZVMNRTHLKCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1,3-benzothiazol-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-dione 、 N-methyl-N-(2-oxoethyl)butylamide 在 ammonium acetate 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 14.0h， 生成 N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-N-methylbutanamide
  参考文献：
  名称：

  EP1721905

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(hydroxyethyl)-N-methylbutylamide 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 N-methyl-N-(2-oxoethyl)butylamide
  参考文献：
  名称：

  EP1721905

  摘要：

  公开号：

文献信息

• Thiazole derivative
  申请人：Sato Masakazu

  公开号：US20070154428A1

  公开（公告）日：2007-07-05

  A thiazolylimidazole derivative represented by the formula or a pharmaceutically acceptable salt thereof, and an ALK5 inhibitor, an therapeutic agent for alopecia or a hair growth agent having the above as an active ingredient, wherein: X 1 and X 2 are different from each other and represent a sulfur atom or a carbon atom; R 1 represents a phenyl group; a substituted phenyl group; a phenyl group condensed with a hetero aromatic ring; a pyridyl group; or a pyridyl group condensed with a hetero aromatic ring; R 2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, an alkyl group having 1 to 6 carbon atoms substituted with 1 to 5 halogen atoms, an alkoxy group having 1 to 6 carbon atoms, an alkanoyl group having 1 to 5 carbon atoms, or a hydroxyalkyl group having 1 to 6 carbon atoms, A represents a group which is represented by the formula. The present invention provides an inhibitory substance against ALK5 which is a TGF-β type I receptor and provides a hair growth stimulant or a hair growth agent based on its novel activities.

  一种由以下公式表示的噻唑咪唑衍生物或其药学上可接受的盐，以及ALK5抑制剂，作为治疗脱发或促进头发生长的活性成分。其中：X1和X2不同，分别表示硫原子或碳原子；R1表示苯基；取代苯基；与杂环芳香环融合的苯基；吡啶基；或与杂环芳香环融合的吡啶基；R2表示氢原子，卤素原子，具有1到6个碳原子的烷基，具有1到6个碳原子的烷基，该烷基被1到5个卤素原子取代，具有1到6个碳原子的烷氧基，具有1到5个碳原子的烷酰基或具有1到6个碳原子的羟基烷基；A表示由以下公式表示的基团。本发明提供了一种抗TGF-β类型I受体ALK5的抑制物质，并基于其新颖的活性提供了一种促进头发生长的刺激剂或头发生长剂。
• THIAZOLE DERIVATIVE
  申请人：Sato Masakazu

  公开号：US20100216787A1

  公开（公告）日：2010-08-26

  A thiazolylimidazole derivative represented by the formula or a pharmaceutically acceptable salt thereof, and an ALK5 inhibitor, an therapeutic agent for alopecia or a hair growth agent having the above as an active ingredient, wherein: X 1 and X 2 are different from each other and represent a sulfur atom or a carbon atom; R 1 represents a phenyl group; a substituted phenyl group; a phenyl group condensed with a hetero aromatic ring; a pyridyl group; or a pyridyl group condensed with a hetero aromatic ring; R 2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, an alkyl group having 1 to 6 carbon atoms substituted with 1 to 5 halogen atoms, an alkoxy group having 1 to 6 carbon atoms, an alkanoyl group having 1 to 5 carbon atoms, or a hydroxyalkyl group having 1 to 6 carbon atoms, A represents a group which is represented by the formula. The present invention provides an inhibitory substance against ALK5 which is a TGF-β type I receptor and provides a hair growth stimulant or a hair growth agent based on its novel activities.

  一种由式表示的噻唑咪唑衍生物或其药学上可接受的盐，并且一种ALK5抑制剂，用作脱发的治疗剂或具有上述物质作为活性成分的生发剂，其中：X1和X2不同且表示硫原子或碳原子；R1表示苯基；取代苯基；与杂环芳香环融合的苯基；吡啶基；或与杂环芳香环融合的吡啶基；R2表示氢原子、卤原子、具有1至6个碳原子的烷基、1至6个碳原子的烷基，其上取代有1至5个卤原子、具有1至6个碳原子的烷氧基、具有1至5个碳原子的烷酰基或具有1至6个碳原子的羟基烷基；A表示由式表示的基团。本发明提供了一种抗ALK5的抑制物质，该物质是一种TGF-β类型I受体，并基于其新的活性提供了一种生发刺激剂或生发剂。
• US7678810B2
  申请人：——

  公开号：US7678810B2

  公开（公告）日：2010-03-16
• 5-(1,3-Benzothiazol-6-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazole derivatives as potent and selective transforming growth factor-β type I receptor inhibitors
  作者：Hideaki Amada、Yoshinori Sekiguchi、Naoya Ono、Takeshi Koami、Tetsuo Takayama、Tetsuya Yabuuchi、Hironori Katakai、Akiko Ikeda、Mari Aoki、Takumi Naruse、Reiko Wada、Akiko Nozoe、Masakazu Sato

  DOI：10.1016/j.bmc.2012.09.066

  日期：2012.12

  A series of 5-(1,3-benzothiazol-6-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazole derivatives was synthesized as transforming growth factor-beta (TGF-beta) type I receptor (also known as activin-like kinase 5 or ALK5) inhibitors. These compounds were evaluated for their ALK5 inhibitory activity in an enzyme assay and for their TGF-beta-induced Smad2/3 phosphorylation inhibitory activity in a cell-based assay. As a representative compound, 16i was a potent and selective ALK5 inhibitor, exhibiting a good enzyme inhibitory activity (IC50 = 5.5 nM) as well as inhibitory activity against TGF-beta-induced Smad2/3 phosphorylation at a cellular level (IC50 = 36 nM). Furthermore, the topical application of 3% 16i lotion significantly inhibited Smad2 phosphorylation in Mouse skin (90% inhibition compared with vehicle-treated animals). (C) 2012 Elsevier Ltd. All rights reserved.
• EP1721905
  申请人：——

  公开号：——

  公开（公告）日：——