2,4-二氯苄基异氰化物 | 730964-58-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-二氯苄基异氰化物
• 中文别名: 2,4-二氯苄基胩
• 英文名称: (2,4-dichlorophenyl)methyl isocyanide
• 英文别名: 2,4-Dichloro-1-(isocyanomethyl)benzene
• CAS: 730964-58-6
• 化学式: C₈H₅Cl₂N
• mdl: MFCD04117528
• 分子量: 186.04
• InChiKey: NBHOIQKHEWJXER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2,4-二氯苄基异氰化物 在 lithium chloride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 36.08h， 生成 1-环丙基-N-((2,4-二氯苯基)甲基)-3-甲基-5-氧代-2,5-二氢-1H-吡咯-2-甲酰胺
  参考文献：
  名称：

  WO2008/116814

  摘要：

  公开号：

文献信息

• Novel Receptor Antagonists and Their Methods of Use
  申请人：Chambers J. Laura

  公开号：US20080009541A1

  公开（公告）日：2008-01-10

  The present invention relates to novel oxo-prolinamide derivatives of formula (I) which modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor and the use of such compounds or pharmaceutical compositions thereof in the treatment of disorders mediated by the P2X7 receptor, for example pain, inflammation and neurodegeneration.

  本发明涉及一种新型的氧代脯氨酰胺衍生物，其化学式为（I），可以调节P2X7受体功能，并能够拮抗P2X7受体上ATP的作用，以及利用这些化合物或其药物组合物治疗由P2X7受体介导的疾病，例如疼痛、炎症和神经退行性疾病。
• Pyrrole and Isoindole Carboxamide Derivatives as P2X7 Modulators
  申请人：Gleave Robert James

  公开号：US20100210705A1

  公开（公告）日：2010-08-19

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein: R 2 represents hydrogen, halogen, C 1-6 alkyl, C 6-10 arylmethyl-, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkylmethyl-; and any of said C 1-6 alkyl, C 6-10 arylmethyl-, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkylmethyl- is optionally substituted with 1, 2 or 3 halogen atoms; and R 3 represents hydrogen, fluorine or methyl; or R 2 and R 3 together with the carbon atoms to which they are attached form a benzene ring optionally substituted with 1, 2 or 3 substituents, which may be the same or different, selected from the group consisting of C 1-6 alkyl, C 2-6 alkenyl and C 2-6 alkynyl. The compounds or salts modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of such compounds or salts, or pharmaceutical compositions thereof, in the treatment of disorders mediated by the P2X7 receptor, for example pain, inflammation or neurodegeneration.

  本发明涉及式（I）的化合物或其药学上可接受的盐：其中：R2代表氢、卤素、C1-6烷基、C6-10芳基甲基、C2-6烯基、C2-6炔基或C3-6环烷基甲基；所述的任何C1-6烷基、C6-10芳基甲基、C2-6烯基、C2-6炔基或C3-6环烷基甲基均可选地用1、2或3个卤素原子取代；R3代表氢、氟或甲基；或R2和R3与它们连接的碳原子一起形成一个苯环，该苯环可选地用1、2或3个取代基取代，所述取代基可以是相同的或不同的，选自C1-6烷基、C2-6烯基和C2-6炔基的群。这些化合物或盐调节P2X7受体功能，并能够拮抗ATP在P2X7受体的作用。本发明还提供了这种化合物或盐的用途，或其制成的药物组合物，用于治疗由P2X7受体介导的疾病，例如疼痛、炎症或神经退行性疾病。
• Piperidinone Carboxamide Derivatives as P2X7 Modulators
  申请人：Beswick Paul John

  公开号：US20100168171A1

  公开（公告）日：2010-07-01

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: The compounds or salts modulate P2X7 receptor function and are capable of interfering with the effects of ATP at the P2X7 receptor. The invention also provides the use of such compounds or salts, or pharmaceutical compositions thereof, in the treatment or prevention of disorders mediated by the P2X7 receptor, for example pain, inflammation or a neurodegenerative disease, in particular pain such as inflammatory pain, neuropathic pain or visceral pain.

  本发明涉及公式(I)的化合物或其药学上可接受的盐：这些化合物或盐调节P2X7受体功能，并能干扰ATP在P2X7受体上的作用。本发明还提供了使用这些化合物或盐，或其制成的药物组合物，在治疗或预防由P2X7受体介导的疾病，例如疼痛、炎症或神经退行性疾病，特别是疼痛，如炎性疼痛、神经性疼痛或内脏疼痛。
• Pyrrole and isoindole carboxamide derivatives as P2X7 modulators
  申请人：Glaxo Group Limited

  公开号：US07935832B2

  公开（公告）日：2011-05-03

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein: R2 represents hydrogen, halogen, C1-6 alkyl, C6-10 arylmethyl-, C2-6 alkenyl, C2-6 alkynyl or C3-6 cycloalkylmethyl-; and any of said C1-6 alkyl, C6-10 arylmethyl-, C2-6 alkenyl, C2-6 alkynyl or C3-6 cycloalkylmethyl- is optionally substituted with 1, 2 or 3 halogen atoms; and R3 represents hydrogen, fluorine or methyl; or R2 and R3 together with the carbon atoms to which they are attached form a benzene ring optionally substituted with 1, 2 or 3 substituents, which may be the same or different, selected from the group consisting of C1-6 alkyl, C2-6 alkenyl and C2-6 alkynyl. The compounds or salts modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of such compounds or salts, or pharmaceutical compositions thereof, in the treatment of disorders mediated by the P2X7 receptor, for example pain, inflammation or neurodegeneration.

  本发明涉及式（I）的化合物或其药学上可接受的盐：其中：R2代表氢，卤素，C1-6烷基，C6-10芳基甲基，C2-6烯基，C2-6炔基或C3-6环烷基甲基; 任何所述的C1-6烷基，C6-10芳基甲基，C2-6烯基，C2-6炔基或C3-6环烷基甲基可选地被1、2或3个卤素原子取代; R3代表氢，氟或甲基; 或者R2和R3与它们连接的碳原子一起形成一个苯环，该苯环可选地被1、2或3个取代基取代，所述取代基可以是相同或不同，选自由C1-6烷基，C2-6烯基和C2-6炔基的群。该化合物或盐调节P2X7受体功能，能够对抗ATP在P2X7受体的影响。本发明还提供了这种化合物或盐，或其制成的药物组合物在治疗由P2X7受体介导的疾病，例如疼痛、炎症或神经退行性方面的用途。
• Receptor antagonists and their methods of use
  申请人：Glaxo Group Limited

  公开号：US08048907B2

  公开（公告）日：2011-11-01

  The present invention relates to novel oxo-prolinamide derivatives of formula (I) which modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor and the use of such compounds or pharmaceutical compositions thereof in the treatment of disorders mediated by the P2X7 receptor, for example pain, inflammation and neurodegeneration.

  本发明涉及式（I）的新型氧代脯氨酰胺衍生物，其调节P2X7受体功能并能够拮抗P2X7受体上ATP的作用，以及使用这种化合物或其药物组合物治疗由P2X7受体介导的疾病，例如疼痛、炎症和神经退行性疾病。