6-氯螺[4H-3,1-苯并噁嗪-4,4'-哌啶]-2(1H)-酮 | 92926-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 6-氯螺[4H-3,1-苯并噁嗪-4,4'-哌啶]-2(1H)-酮
• 英文名称: 6-chloro-1,2-dihydro-2-oxo-spiro[4H-3,1-benzoxazin-4,4'-piperidine]
• 英文别名: 6-chlorospiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one；6-chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one；6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4'-piperidine]；6-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
• CAS: 92926-63-1
• 化学式: C₁₂H₁₃ClN₂O₂
• 分子量: 252.7
• InChiKey: YVMBDVRYWIKNEA-UHFFFAOYSA-N

物化性质

• 沸点：
  360.4±42.0 °C(Predicted)
• 密度：
  1.39

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  (2S,1'R)-2-oxiranyl-1,4-benzodioxan 、 6-氯螺[4H-3,1-苯并噁嗪-4,4'-哌啶]-2(1H)-酮 以62%的产率得到
  参考文献：
  名称：

  CALARK, R. D.;CAROON, J. M.;KLUGE, A. F.;REPKE, D. B.;ROSZKOWSKI, A. P.;S+, J. MED. CHEM., 1983, 26, N 5, 657-661

  摘要：

  DOI：
• 作为产物：
  描述：

  6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carbonitrile 生成 6-氯螺[4H-3,1-苯并噁嗪-4,4'-哌啶]-2(1H)-酮
  参考文献：
  名称：

  BERNARDI, L.;LAZZARI, E.;MAINATI, M. L.;MAZZINI, G.;PEGRASSI, L.;ROSSI, A+

  摘要：

  DOI：

文献信息

• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20160031908A1

  公开（公告）日：2016-02-04

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。
• Chemokine receptor antagonists and methods of use thereof
  申请人：Luly R. Jay

  公开号：US20050070549A1

  公开（公告）日：2005-03-31

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: formula (1) or physiologically acceptable salt thereof.

  揭示了新化合物和一种治疗与异常白细胞召集和/或激活相关疾病的方法。该方法包括向需要的受试者施用由以下公式（1）表示的化合物或其生理上可接受的盐的有效量。
• Indol-3-yl-carbonyl-spiro-piperidine derivatives
  申请人：Bissantz Caterina

  公开号：US20070155761A1

  公开（公告）日：2007-07-05

  This invention relates to indol-3-yl-carbonyl-spiro-piperidine derivatives which act as Via receptor antagonists and which are represented by Formula I: wherein the spiropiperidine-head group A and the residues R 1 , R 2 and R 3 are as defined herein. The invention further relates to pharmaceutical compositions containing such compounds, their use in the treatment of dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety and depressive disorders, and to methods of preparation thereof.

  本发明涉及indol-3-yl-carbonyl-spiro-piperidine衍生物，其作为Via受体拮抗剂，并由式I所表示：其中spiropiperidine头基A和残基R1、R2和R3的定义如本文所述。本发明还涉及含有这种化合物的制药组合物，它们在治疗痛经、高血压、慢性心力衰竭、非适当分泌利尿素、肝硬化、肾病综合征、强迫症、焦虑和抑郁症方面的应用，以及其制备方法。
• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR
  申请人：Luly Jay R.

  公开号：US20090281081A1

  公开（公告）日：2009-11-12

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及新化合物以及一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内给予一种有效量的化合物，该化合物表示为：或其生理上可接受的盐。
• Chemokine receptor antagonists and methods of use therefor
  申请人：Luly R. Jay

  公开号：US20070060592A1

  公开（公告）日：2007-03-15

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及一种新型化合物和一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内投与有效量的化合物，所述化合物的表示式为：或其生理上可接受的盐。