1-{2-[{6-[(3-Methoxy-4-{methyl[3-(methylamino)propyl]carbamoyl}phenyl)amino]hexanoyl}(meth yl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate | 1246247-11-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{2-[{6-[(3-Methoxy-4-{methyl[3-(methylamino)propyl]carbamoyl}phenyl)amino]hexanoyl}(meth yl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate
• 英文别名: [1-[2-[6-[3-methoxy-4-[methyl-[3-(methylamino)propyl]carbamoyl]anilino]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 1246247-11-9
• 化学式: C₄₀H₅₆N₆O₅
• 分子量: 700.922
• InChiKey: SZKUSPFHGVVNPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  51
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• AMIDE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2409977A1

  公开（公告）日：2012-01-25

  The present invention relates to a compound or a pharmacologically acceptable salt thereof that has an excellent antagonistic effect on a neurokinin NK1 receptor, a neurokinin NK2 receptor, and a muscarine M3 receptor and is useful as a therapeutic agent for bronchial asthma, chronic obstructive pulmonary disease, or the like. A compound represented by general formula (I): [wherein R1 represents a hydrogen atom, a C1-C6 alkyl group, or the like; R2 represents a hydrogen atom, a C1-C6 alkyl group, or the like; R3 represents a phenyl group that may be substituted with 1 to 5 group(s) independently selected from Substituent Group A, or the like; R4 represents a phenyl group that may be substituted with 1 to 5 group(s) independently selected from Substituent Group A, or the like; L1 represents a C1-C10 alkylene group or the like; L2 represents a carbonyl group, a group represneted by the formula -N(R5)-C(=O)-, a group represented by the formula -C(=O)-N(R5)-, or the like; R5 represents a hydrogen atom, a C1-C6 alkyl group, or the like; E represents a phenylene group that may be substituted with 1 to 4 group(s) independently selected from Substituent Group A, or the like; m is an integer of 1 to 4; n is an integer of 0 to 4; p is an integer of 0 to 2; q is an integer of 1 to 10; r is 1 or 2; s is 0 or 1; and Substituent Group A represents the group consisting of a halogen atom, a C1-C6 alkyl group, C1-C6 halogenated alkyl group, or the like] or a pharmacologically acceptable salt thereof.

  本发明涉及一种化合物或其药理学上可接受的盐，该化合物或其药理学上可接受的盐对神经激肽 NK1 受体、神经激肽 NK2 受体和毒蕈碱 M3 受体具有极好的拮抗作用，可用作支气管哮喘、慢性阻塞性肺病或类似疾病的治疗剂。 通式(I)代表的化合物： 其中 R1 代表氢原子、C1-C6 烷基或类似物； R2 代表氢原子、C1-C6 烷基或类似物； R3 代表可被 1 至 5 个独立选自取代基 A 或类似物的基团取代的苯基；R4 代表可被 1 至 5 个独立选自取代基 A 的基团或类似基团取代的苯基； L1 代表 C1-C10 亚烷基或类似基团； L2 代表羰基、式 -N(R5)-C(=O)- 代表的基团、式 -C(=O)-N(R5)- 代表的基团或类似基团；R5 代表氢原子、C1-C6 烷基或类似基团； E 代表可被 1 至 4 个独立选自取代基 A 的基团或类似基团取代的亚苯基； m 是 1 至 4 的整数； n 是 0 至 4 的整数；p 是 0 至 2 的整数；q 是 1 至 10 的整数；r 是 1 或 2；s 是 0 或 1；取代基 A 代表由卤素原子、C1-C6 烷基、C1-C6 卤代烷基或类似基团组成的组]或其药理学上可接受的盐。
• US8476253B2
  申请人：——

  公开号：US8476253B2

  公开（公告）日：2013-07-02