8-(4-chloro-benzyl)-1-(4-fluorophenyl)-1,3,8-triaza-spiro[4.5]decan-4-one | 674474-10-3

• 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: 8-(4-chloro-benzyl)-1-(4-fluorophenyl)-1,3,8-triaza-spiro[4.5]decan-4-one
• 英文别名: 8-[(4-Chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
• CAS: 674474-10-3
• 化学式: C₂₀H₂₁ClFN₃O
• 分子量: 373.858
• InChiKey: KTYXKWCNSFLYHL-UHFFFAOYSA-N

物化性质

• 沸点：
  572.9±50.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(4-chloro-benzyl)-1-(4-fluorophenyl)-1,3,8-triaza-spiro[4.5]decan-4-one 、 右旋环氧氯丙烷 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 18.67h， 生成 8-(4-chloro-benzyl)-1-(4-fluorophenyl)-3-(R)-oxiranylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
  参考文献：
  名称：

  [EN] HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS
  [FR] DERIVES DE 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE A SUBSTITUTION HYDROXYALKYLE UTILES POUR TRAITER DES MALADIES ASSOCIEES AU RECEPTEUR ORL-1

  摘要：

  公开号：

  WO2004022558A3
• 作为产物：
  描述：

  4-氯苯甲醛 、 1-(4-氟苯基)-1,3,8-三氮杂螺[4.5]-4-癸酮 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 8-(4-chloro-benzyl)-1-(4-fluorophenyl)-1,3,8-triaza-spiro[4.5]decan-4-one
  参考文献：
  名称：

  [EN] HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS
  [FR] DERIVES DE 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE A SUBSTITUTION HYDROXYALKYLE UTILES POUR TRAITER DES MALADIES ASSOCIEES AU RECEPTEUR ORL-1

  摘要：

  公开号：

  WO2004022558A3

文献信息

• New substituted indolinones, their manufacture and their use as medicaments
  申请人：Roth Juergen Gerald

  公开号：US20050009898A1

  公开（公告）日：2005-01-13

  The present invention relates to substituted indolinones of general formula wherein R 1 to R 6 and X are defined as in claim 1 , the isomers and the salts thereof, in particular the physiologically acceptable salts thereof which have valuable pharmacological properties, especially an inhibitory effect on various receptor-tyrosine kinases, and cycline/CDK complexes as well as on the proliferation of endothelial cells and various tumour cells, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式为R1至R6和X如权利要求1所定义的取代吲哚酮，其异构体和盐，特别是具有有价值的药理学性质，特别是对各种受体酪氨酸激酶和环蛋白/ CDK复合物以及内皮细胞和各种肿瘤细胞的增殖具有抑制作用的生理上可接受的盐，包含这些化合物的制药组合物，它们的用途和制备它们的过程。
• Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders
  申请人：——

  公开号：US20040142955A1

  公开（公告）日：2004-07-22

  The present invention is directed to novel hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives of the general formula 1 wherein all variables are as defined herein, useful in the treatment of disorders and conditions mediated by the ORL-1 G-protein coupled receptor. More particularly, the compounds of the present invention are useful in the treatment of disorders and conditions such as anxiety, depression, panic, dementia, mania, bipolar disorder, substance abuse, neuropathic pain, acute pain, chronic pain, migraine, asthma, cough, psychosis, schizophrenia, epilepsy, hypertension, obesity, eating disorders, cravings, diabetes, cardiac arrhythmia, irritable bowel syndrome, Crohn's disease, urinary incontinence, adrenal disorders, attention deficit disorder (ADD), attention deficit hyperactivity disorder (ADHD), Alzheimer's disease, for improved cognition or memory and for mood stabilization.

  本发明涉及一种新型的羟基烷基取代的1,3,8-三氮杂螺[4.5]癸烷-4-酮衍生物，其一般式为1，其中所有变量如本文所定义，可用于治疗由ORL-1 G蛋白偶联受体介导的疾病和症状。特别地，本发明的化合物可用于治疗焦虑、抑郁、恐慌、痴呆、躁狂、双相情感障碍、物质滥用、神经病性疼痛、急性疼痛、慢性疼痛、偏头痛、哮喘、咳嗽、精神病、精神分裂症、癫痫、高血压、肥胖症、进食障碍、渴望、糖尿病、心律失常、肠易激综合征、克罗恩病、尿失禁、肾上腺疾病、注意力缺陷障碍（ADD）、注意力缺陷多动障碍（ADHD）、阿尔茨海默病，用于改善认知或记忆能力和情绪稳定。
• Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders
  申请人：Battista Kathleen

  公开号：US20060030577A1

  公开（公告）日：2006-02-09

  The present invention is directed to novel hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives of the general formula wherein all variables are as defined herein, useful in the treatment of disorders and conditions mediated by the ORL-1 G-protein coupled receptor. More particularly, the compounds of the present invention are useful in the treatment of disorders and conditions such as anxiety, depression, panic, dementia, mania, bipolar disorder, substance abuse, neuropathic pain, acute pain, chronic pain, migraine, asthma, cough, psychosis, schizophrenia, epilepsy, hypertension, obesity, eating disorders, cravings, diabetes, cardiac arrhythmia, irritable bowel syndrome, Crohn's disease, urinary incontinence, adrenal disorders, attention deficit disorder (ADD), attention deficit hyperactivity disorder (ADHD), Alzheimer's disease, for improved cognition or memory and for mood stabilization.

  本发明涉及一种新的羟基烷基取代的1,3,8-三氮杂螺[4.5]癸酮衍生物，其通式如下： 其中所有变量如本文所定义，可用于治疗由ORL-1 G蛋白偶联受体介导的疾病和病症。更具体地，本发明的化合物可用于治疗焦虑、抑郁、惊恐、痴呆、躁狂、双相障碍、物质滥用、神经病性疼痛、急性疼痛、慢性疼痛、偏头痛、哮喘、咳嗽、精神病、精神分裂症、癫痫、高血压、肥胖症、进食障碍、渴望、糖尿病、心脏心律失常、肠易激综合征、克罗恩病、尿失禁、肾上腺疾病、注意力缺陷障碍（ADD）、注意力缺陷多动障碍（ADHD）、阿尔茨海默病，以改善认知或记忆，并用于情绪稳定。
• Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20040058978A1

  公开（公告）日：2004-03-25

  The present invention relates to new substituted indolinones of general formula 1 wherein X and R 1 to R 5 are defined as in claim 1, the isomers and the salts thereof which have valuable properties. The above compounds of general formula I wherein R 1 denotes a hydrogen atom, a C 1-3 -alkyl group or a prodrug group have valuable pharmacological properties, particularly an inhibiting effect on various kinases, on viral cyclin and on receptor tyrosine kinases, and the other compounds of the above general formula I wherein R 1 does not represent a hydrogen atom, a C 1-3 -alkyl group or a prodrug group are valuable intermediate products for the preparation of the abovementioned compounds.

  本发明涉及一种新的通式1的取代吲哚酮，其中X和R1至R5的定义如权利要求书1中所述，其异构体和盐具有有价值的性质。通式I中的上述化合物，其中R1表示氢原子，C1-3-烷基或前药基，具有有价值的药理学性质，特别是对多种激酶、病毒细胞周期蛋白和受体酪氨酸激酶具有抑制作用，上述通式I中R1不表示氢原子、C1-3-烷基或前药基的其他化合物是制备上述化合物的有价值中间体。
• HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS
  申请人：BATTISTA Kathleen

  公开号：US20090124614A1

  公开（公告）日：2009-05-14

  The present invention is directed to novel hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives of the general formula wherein all variables are as defined herein, useful in the treatment of disorders and conditions mediated by the ORL-1 G-protein coupled receptor. More particularly, the compounds of the present invention are useful in the treatment of disorders and conditions such as anxiety, depression, panic, dementia, mania, bipolar disorder, substance abuse, neuropathic pain, acute pain, chronic pain, migraine, asthma, cough, psychosis, schizophrenia, epilepsy, hypertension, obesity, eating disorders, cravings, diabetes, cardiac arrhythmia, irritable bowel syndrome, Crohn's disease, urinary incontinence, adrenal disorders, attention deficit disorder (ADD), attention deficit hyperactivity disorder (ADHD), Alzheimer's disease, for improved cognition or memory and for mood stabilization.

  本发明涉及一种新型的羟基烷基取代的1,3,8-三氮杂螺[4.5]癸酮衍生物，其通式如下：其中所有变量均如本文所定义，可用于治疗由ORL-1 G蛋白偶联受体介导的疾病和症状。更具体地，本发明的化合物可用于治疗焦虑、抑郁、惊恐、痴呆、躁狂、双相情感障碍、物质滥用、神经病性疼痛、急性疼痛、慢性疼痛、偏头痛、哮喘、咳嗽、精神病、精神分裂症、癫痫、高血压、肥胖症、进食障碍、渴望、糖尿病、心律失常、肠易激综合征、克罗恩病、尿失禁、肾上腺疾病、注意力缺陷障碍（ADD）、注意力缺陷多动障碍（ADHD）、阿尔茨海默病，以改善认知或记忆，并用于情绪稳定。