1-[(1R)-1-异氰酸乙基]-4-甲氧基苯 | 745783-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[(1R)-1-异氰酸乙基]-4-甲氧基苯
• 中文别名: (R)-(+)-1-(4-甲氧基苯基)异氰酸乙酯；2-喹喔啉甲胺,1-乙基-1,2,3,4-四氢-N,N-二甲基-
• 英文名称: (R)-(+)-1-(4-Methoxyphenyl)ethyl isocyanate
• 英文别名: 1-[(1R)-1-isocyanatoethyl]-4-methoxybenzene
• CAS: 745783-82-8
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.2
• InChiKey: WTNKKJUXEYSETC-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1

文献信息

• [EN] TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS<br/>[FR] ANTAGONISTES DE TRPM8 ET LEUR UTILISATION DANS LE CADRE THÉRAPEUTIQUE
  申请人：AMGEN INC

  公开号：WO2012177896A1

  公开（公告）日：2012-12-27

  Compounds of Formula (I) are useful as antagonists of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula (I) have the above structure, where the definitions of the variables are provided herein.

  式（I）的化合物可用作TRPM8的拮抗剂。这些化合物在治疗许多TRPM8介导的疾病和症状方面具有用处，并可用于制备用于治疗这些疾病和症状的药物和药物组合物。这些疾病的例子包括但不限于偏头痛和神经病性疼痛。式（I）的化合物具有上述结构，其中变量的定义在此提供。
• 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use
  申请人：Stevens Malcolm Francis Graham

  公开号：US20100286088A1

  公开（公告）日：2010-11-11

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM compounds). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明涉及治疗化合物领域，更具体地涉及某些3-取代-4-氧代-3,4-二氢咪唑[5,1-d][1,2,3,5]四嗪-8-羧酸酰胺（统称为3TM化合物）。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制细胞增殖，在治疗增生性疾病如癌症等方面的应用，以及制备这种化合物的方法。
• TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS
  申请人：BROWN James

  公开号：US20130158034A1

  公开（公告）日：2013-06-20

  Compounds of Formula I are useful as antagonists of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  式I的化合物是TRPM8拮抗剂，对于治疗许多TRPM8介导的疾病和症状有用，并可用于制备治疗此类疾病和症状的药物和制剂。此类疾病的例子包括但不限于偏头痛和神经病性疼痛。式I的化合物具有以下结构：其中变量的定义在此提供。
• 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use
  申请人：Pharminox Limited

  公开号：US20130338104A1

  公开（公告）日：2013-12-19

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM compounds). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明涉及治疗化合物领域，更具体地涉及某些3-取代-4-氧代-3,4-二氢咪唑[5,1-d][1,2,3,5]四唑-8-羧酸酰胺（以下统称为3TM化合物）。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制细胞增殖，治疗增生性疾病如癌症等的用途，以及制备这种化合物的方法。
• 3-substituted-4-oxo-3,4-dihydro-imidazo-[5,1-d][1,2,3,5]-tetrazine-8-carboxylic acid amides as anticancer agents
  申请人：Pharminox Limited

  公开号：EP2698370A2

  公开（公告）日：2014-02-19

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM compounds). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明一般涉及治疗化合物领域，更具体地说，涉及某些 3-取代-4-氧代-3,4-二氢咪唑并[5,1-d][1,2,3,5]四嗪-8-羧酸酰胺（本文统称为 3TM 化合物）。本发明还涉及包含此类化合物的药物组合物，以及此类化合物和组合物在体外和体内抑制细胞增殖、治疗增殖性疾病如癌症等方面的用途，以及制备此类化合物的方法。