[3,5-Bis(trifluoromethyl)phenyl]-[7-[(3,4-dichlorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone | 717927-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: [3,5-Bis(trifluoromethyl)phenyl]-[7-[(3,4-dichlorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
• CAS: 717927-53-2
• 化学式: C₂₃H₁₉Cl₂F₆NO₃
• 分子量: 542.305
• InChiKey: BDXNAAFKEXZFKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [3,5-Bis(trifluoromethyl)phenyl]-[7-[(3,4-dichlorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone 在 5 % platinum on carbon 噻吩 、 盐酸 、 titanium, tetrakis (2-propanolato) 、 氢气 作用下， 以 甲醇 、 水 、 异丙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  [EN] SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS
  [FR] DERIVES 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE SUBSTITUEE, UTILISATIONS DE CES DERNIERS EN TANT QU'ANTAGONISTES DE LA NEUROKININE

  摘要：

  公开号：

  WO2004056799A3
• 作为产物：
  描述：

  Ethyl 7-[(3,4-dichlorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate 在 氢氧化钾 、 三乙胺 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 2.0h， 生成 [3,5-Bis(trifluoromethyl)phenyl]-[7-[(3,4-dichlorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
  参考文献：
  名称：

  [EN] SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS
  [FR] DERIVES 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE SUBSTITUEE, UTILISATIONS DE CES DERNIERS EN TANT QU'ANTAGONISTES DE LA NEUROKININE

  摘要：

  公开号：

  WO2004056799A3

文献信息

• [EN] SUBSTITUTED DIAZA-SPIRO-[5.5]-UNDECANE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS<br/>[FR] DERIVES DE DIAZA-SPIRO-[5.5]-UNDECANE SUBSTITUES ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DE LA NEUROKININE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005097795A1

  公开（公告）日：2005-10-20

  This invention concerns substituted diaza-spiro-[5.5]-undecane derivatives having neurokinin antagonistic activity, in particular NK1 antagonistic activity, a combined NK1/NK2 antagonistic activity, a combined NK1/NK3 antagonistic activity and a combined NK1/NK2/NK3 antagonistic activity, their preparation, compositions comprising them and their use as a medicine, in particular for the treatment and/or prophylaxis of schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, pain, in particular visceral and neuropathic pain, pancreatitis, neurogenic inflammation, asthma, COPD and micturition disorders such as urinary incontinence. The compounds according to the invention can be represented by general Formula (I) (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in Claim 1.

  本发明涉及替代的二氮杂螺[5.5]十一烷衍生物，具有神经激肽拮抗活性，特别是NK1拮抗活性、NK1/NK2联合拮抗活性、NK1/NK3联合拮抗活性和NK1/NK2/NK3联合拮抗活性，它们的制备、包含它们的组合物和它们作为药物的用途，特别是用于治疗和/或预防精神分裂症、恶心、焦虑和抑郁症、肠易激综合征（IBS）、昼夜节律紊乱、妊娠高血压、疼痛感知、疼痛，特别是内脏和神经病性疼痛、胰腺炎、神经源性炎症、哮喘、COPD和排尿障碍，如尿失禁。根据本发明的化合物可以用一般式（I）（I）表示，并且还包括其药用可接受的酸盐或碱盐加合物、立体化异构体形式、N-氧化物形式和前药形式，其中所有取代基的定义如权利要求1中所定义。
• SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1581518B1

  公开（公告）日：2011-03-02
• SUBSTITUTED DIAZA-SPIRO-[5.5 -UNDECANE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1735312B1

  公开（公告）日：2008-12-10
• Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists
  申请人：Janssens Eduard Frans

  公开号：US20070232636A1

  公开（公告）日：2007-10-04

  This invention concerns substituted diaza-spiro-[5.5]-undecane derivatives having neurokinin antagonistic activity, in particular NK 1 antagonistic activity, a combined NK 1 /NK 2 antagonistic activity, a combined NK 1 /NK 3 antagonistic activity and a combined NK 1 /NK 2 /NK 3 antagonistic activity, their preparation, compositions comprising them and their use as a medicine, in particular for the treatment and/or prophylaxis of schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, pain, in particular visceral and neuropathic pain, pancreatitis, neurogenic inflammation, asthma, COPD and micturition disorders such as urinary incontinence. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in Claim 1.
• US7544694B2
  申请人：——

  公开号：US7544694B2

  公开（公告）日：2009-06-09