4-{3-[4-(3-{4-[amino(isobutoxycarbonylimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-(isobutoxycarbonyl)benzamidine | 943150-85-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-{3-[4-(3-{4-[amino(isobutoxycarbonylimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-(isobutoxycarbonyl)benzamidine
• 英文别名: 2-methylpropyl N-[4-[3-[1-[3-[4-[N-(2-methylpropoxycarbonyl)carbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]benzenecarboximidoyl]carbamate
• CAS: 943150-85-4
• 化学式: C₃₅H₅₁N₅O₆
• 分子量: 637.82
• InChiKey: MBNWOSFFSOQFSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  46
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-{3-[4-(3-{4-[amino(hydroxyimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-hydroxybenzamidine 在 5%-palladium/activated carbon 氢气 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.92h， 生成 4-{3-[4-(3-{4-[amino(isobutoxycarbonylimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-(isobutoxycarbonyl)benzamidine
  参考文献：
  名称：

  NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE

  摘要：

  公开号：

  EP1967190B1

文献信息

• Arylamidine derivative, salt thereof and antifungal agent containing those
  申请人：Hayashi Kazuya

  公开号：US08536343B2

  公开（公告）日：2013-09-17

  Disclosed is an arylamidine derivative represented by the following general formula: (wherein R1 and R2 independently represent an optionally substituted C3-4 alkyl group) or a salt thereof, which is useful as an antifungal agent.

  本发明公开了一种芳基脲衍生物，其通式如下：（其中R1和R2独立地代表可选取代的C3-4烷基基团）或其盐，该化合物可用作抗真菌剂。
• PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT
  申请人：Nishikawa Hiroshi

  公开号：US20100098750A1

  公开（公告）日：2010-04-22

  A pharmaceutical composition comprising a phenylamidine derivative or a salt thereof, represented by a general formula, wherein R 1 and R 2 may be same or different, and represent an optionally substituted C 3-4 alkyl group; and one or more agents selected from azole antifungal agents, polyene antifungal agents, candin antifungal agents and fluoropyrimidine antifungal agents, and a method for combination use of the phenylamidine derivative or a salt thereof and the agents are useful for treating fungal infections caused by a fungal pathogen.
• US8173157B2
  申请人：——

  公开号：US8173157B2

  公开（公告）日：2012-05-08
• US8536343B2
  申请人：——

  公开号：US8536343B2

  公开（公告）日：2013-09-17
• NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1967190B1

  公开（公告）日：2010-08-04