3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide | 484697-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
• CAS: 484697-88-3
• 化学式: C₂₀H₁₈Cl₄N₂O₃
• 分子量: 476.187
• InChiKey: AMSYEIHPTWJTRT-NCELDCMTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-(3-Hydroxy-azetidin-1-yl)-2-oxo-ethyl]-[1,4']bipiperidinyl-2-one 、 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide 在 sodium cyanoborohydride 作用下， 以 2,2,2-三氟乙醇 为溶剂， 生成 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide
  参考文献：
  名称：

  Identification of a novel 1′-[5-((3,5-Dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4′-bipiperidine) as a Dual NK1/NK2 antagonist

  摘要：

  A novel series of dual NK1/NK2 receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK1/NK2 antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00340-2
• 作为产物：
  描述：

  3,5-二氯苯甲酰氯 在 吡啶 、 mercury(II) perchlorate 、 草酰氯 、 氢氟酸 、 水 、 二甲基亚砜 、 三乙胺 、 calcium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
  参考文献：
  名称：

  Identification of a novel 1′-[5-((3,5-Dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4′-bipiperidine) as a Dual NK1/NK2 antagonist

  摘要：

  A novel series of dual NK1/NK2 receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK1/NK2 antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00340-2

文献信息

• SUBSTITUTED OXIMES AND HYDRAZONES AS NEUROKININ ANTAGONISTS
  申请人：SCHERING CORPORATION

  公开号：EP1144402B1

  公开（公告）日：2004-09-22
• Identification of a novel 1′-[5-((3,5-Dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4′-bipiperidine) as a Dual NK1/NK2 antagonist
  作者：Pauline C Ting、Joe F Lee、Neng-Yang Shih、John J Piwinski、John C Anthes、Richard W Chapman、Charles A Rizzo、John A Hey、Kwokei Ng、Amin A Nomeir

  DOI：10.1016/s0960-894x(02)00340-2

  日期：2002.8

  A novel series of dual NK1/NK2 receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK1/NK2 antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. (C) 2002 Elsevier Science Ltd. All rights reserved.