N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[(2-oxoazepan-3-yl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide | 398507-81-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[(2-oxoazepan-3-yl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
• CAS: 398507-81-8
• 化学式: C₂₇H₂₅Cl₂F₆N₃O₃
• 分子量: 624.4
• InChiKey: BHCJHYIMNHXLOM-PBWXKQKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Organic Compounds
  申请人：PORTMANN Robert

  公开号：US20110282053A1

  公开（公告）日：2011-11-17

  A process for preparing compounds of formula I or a solvate or hydrate thereof, where R, R 1 , R 2 , R 3 and R 5 have the meanings as indicated in the specification. Such compounds are useful in the treatment of a number of conditions associated with substance P and neurokinin.

  一种制备式I化合物或其溶剂化物或水合物的方法，其中R、R1、R2、R3和R5的含义如规范中所示。这些化合物在治疗与P物质和神经激肽相关的多种疾病方面具有用途。
• Microemulsion Formulations Comprising Particular Substance P Antagonists
  申请人：Bueb Waltraud

  公开号：US20080254113A1

  公开（公告）日：2008-10-16

  The present invention relates to dispersible pharmaceutical compositions in which the active agent is a substance P antagonist, in particular a 5-aryl-4(R)-arylcarbonylamino-pent-2-enoic acid amide, that is useful for the treatment and prevention of respiratory diseases including asthma and chronic obstructive pulmonary disease, bowel disorders including irritable bowel syndrome (IBS), urinary incontinence, and cough.
• Uses Of NK Receptor Antagonists
  申请人：Stuetz Anton

  公开号：US20120077803A1

  公开（公告）日：2012-03-29

  The invention provides the use of a compound of formula (I) or a solvate or hydrate thereof, wherein the substituents are as defined in the description, and combinations thereof, for the treatment of pruritus or a dermatological disorder or disease.
• US8008479B2
  申请人：——

  公开号：US8008479B2

  公开（公告）日：2011-08-30