methyl 2-{(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy}-3-fluorobenzoate | 1086424-39-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-{(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy}-3-fluorobenzoate
• 英文别名: Methyl 2-[(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]-3-fluorobenzoate；methyl 2-(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxy-3-fluorobenzoate
• CAS: 1086424-39-6
• 化学式: C₂₁H₂₀ClFN₂O₄
• 分子量: 418.852
• InChiKey: ZQNUOZXOIKTKDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-{(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy}-3-fluorobenzoate 在 吡啶 、 甲醇 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 8'-chloro-5'-[2-(chloromethyl)-6-fluorophenoxy]-1'H-spiro[cyclohexane-1,4'-quinazolin]-2'(3'H)-one
  参考文献：
  名称：

  [EN] SPIROCYCLIC QUINAZOLINE DERIVATIVES AND THEIR USE AS PDE7 INHIBITORS
  [FR] DÉRIVÉS SPIROCYCLIQUES

  摘要：

  公开号：

  WO2008142550A9
• 作为产物：
  描述：

  2-{(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy}-3-fluorobenzonitrile 在 硫酸 、 水 作用下， 以 溶剂黄146 为溶剂， 反应 90.0h， 生成 methyl 2-{(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy}-3-fluorobenzoate
  参考文献：
  名称：

  [EN] SPIROCYCLIC QUINAZOLINE DERIVATIVES AND THEIR USE AS PDE7 INHIBITORS
  [FR] DÉRIVÉS SPIROCYCLIQUES

  摘要：

  公开号：

  WO2008142550A9

文献信息

• Spirocyclic Derivatives
  申请人：Rawson David James

  公开号：US20100216823A1

  公开（公告）日：2010-08-26

  The invention provides compounds of formula (I): wherein m, n, X, R 1 , A, B, R 2 and R 3 have the meanings given in the specification, and pharmaceutically acceptable salts, solvates, polymorphs and prodrugs thereof. The compounds are PDE7 inhibitors and have a number of therapeutic applications, particularly in the treatment of pain, especially neuropathic pain.

  本发明提供了式（I）的化合物：其中m，n，X，R1，A，B，R2和R3具有规范中给定的含义，并且其药学上可接受的盐，溶剂化合物，多晶形和前药。这些化合物是PDE7抑制剂，具有许多治疗应用，特别是在疼痛治疗方面，尤其是神经病性疼痛的治疗。
• Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors
  申请人：OMEROS CORPORATION

  公开号：US20130267502A1

  公开（公告）日：2013-10-10

  This disclosure is directed to treatment of addictions and primary impulse-control disorders using phosphodiesterase 7 (PDE7) inhibitors, alone or in combination with other therapeutic agents.

  本公开涉及使用磷酸二酯酶7（PDE7）抑制剂，单独或与其他治疗药物联合治疗成瘾和原发性冲动控制障碍。
• Use of PDE7 Inhibitors for the Treatment of Movement Disorders
  申请人：OMEROS CORPORATION

  公开号：US20140179717A1

  公开（公告）日：2014-06-26

  A method of treating a movement abnormality associated with the pathology of a neurological movement disorder, such as Parkinson's disease or Restless Leg(s) Syndrome by administering a therapeutically effective amount of a PDE7 inhibitory agent. An aspect of the invention provides for the administration of a PDE& inhibitory agent in conjunction with a dopamine agonist or precursor, such as levodopa. In another aspect of the invention, the PDE7 inhibitory agent may be selective for PDE7 relative to other molecular targets (i) known to be involved with the pathology of Parkinson's disease or (ii) at which other drug(s) that are therapeutically effective to treat Parkinson's disease act.

  一种治疗神经运动障碍病理学相关的运动异常的方法，例如帕金森病或不宁腿综合症，通过给予治疗有效量的PDE7抑制剂。该发明的一个方面是在给予多巴胺激动剂或前体（如左旋多巴）的同时给予PDE7抑制剂。在该发明的另一个方面，PDE7抑制剂可以相对于其他分子靶点（i）已知与帕金森病的病理学有关或（ii）其他治疗帕金森病有效的药物作用的靶点而选择性地作用于PDE7。
• USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS
  申请人：Omeros Corporation

  公开号：US20160015715A1

  公开（公告）日：2016-01-21

  A method of treating a movement abnormality associated with the pathology of a neurological movement disorder, such as Parkinson's disease or Restless Leg(s) Syndrome by administering a therapeutically effective amount of a PDE7 inhibitory agent. An aspect of the invention provides for the administration of a PDE& inhibitory agent in conjunction with a dopamine agonist or precursor, such as levodopa. In another aspect of the invention, the PDE7 inhibitory agent may be selective for PDE7 relative to other molecular targets (i) known to be involved with the pathology of Parkinson's disease or (ii) at which other drug(s) that are therapeutically effective to treat Parkinson's disease act.

  本发明涉及一种治疗神经运动障碍病理学相关的运动异常的方法，例如帕金森病或不宁腿综合症，通过给予治疗有效量的PDE7抑制剂。本发明的一个方面提供了与多巴胺激动剂或前体（例如左旋多巴）一起给予PDE7抑制剂的治疗方法。在本发明的另一个方面，PDE7抑制剂可以选择性地作用于PDE7，而相对于其他分子靶点（i）已知与帕金森病的病理学有关或（ii）其他治疗帕金森病的药物作用的靶点。
• Treatment of addiction and impulse-control disorders using PDE7 inhibitors
  申请人：Omeros Corporation

  公开号：US11207275B2

  公开（公告）日：2021-12-28

  This disclosure is directed to treatment of addictions and primary impulse-control disorders using phosphodiesterase 7 (PDE7) inhibitors, alone or in combination with other therapeutic agents.

  本公开内容涉及使用磷酸二酯酶 7 (PDE7) 抑制剂单独或与其他治疗剂联合治疗成瘾症和原发性冲动控制障碍。