ethyl 4-({(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-6-methylquinazolin-2-carboxylate | 620957-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ethyl 4-({(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-6-methylquinazolin-2-carboxylate
• 英文别名: 4-({(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-6-methylquinazoline-2-carboxylic acid ethyl ester；ethyl4-(((1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl)amino)-6-methylquinazoline-2-carboxylate；ethyl 6-methyl-4-[[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-2-carboxylate
• CAS: 620957-84-8
• 化学式: C₂₃H₃₂N₄O₄
• 分子量: 428.531
• InChiKey: DCBVKFUBKNYWMU-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 4-({(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-6-methylquinazolin-2-carboxylate 在 盐酸 、 sodium hydroxide 、 水 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 45.0h， 生成 4-{[(1S,2R)-2-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)cyclohexyl]amino}-6-methylquinazoline-2-carboxylic acid
  参考文献：
  名称：

  EP1500652

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-6-甲基-2-喹唑啉羧酸乙酯 、 ((1R,2S)-2-氨基环己基)氨基甲酸叔丁酯 在 4-二甲氨基吡啶 三乙胺 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 ethyl 4-({(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino)-6-methylquinazolin-2-carboxylate
  参考文献：
  名称：

  EP1500652

  摘要：

  公开号：

文献信息

• [EN] NOP RECEPTOR ANTAGONIST<br/>[FR] ANTAGONISTE DES RÉCEPTEURS NOP
  申请人：NIPPON SHINYAKU CO LTD

  公开号：WO2013051159A1

  公开（公告）日：2013-04-11

  A novel excellent non-opioid branch of the opioid peptide family of receptors antagonist is provided, which exhibit an analgesic effect on a varuous pains. The present invention is directed to a non-opioid branch of the opioid peptide family of receptors antagonist represented by the general formula [1] or a pharmaceutically acceptable salt thereof. In the general formula [1], R1 represents hydrogen or the like, R2 represents hydrogen or the like, R3 and R4 are the same or different and represent hydrogen, alkyl, alkoxy or halogen, R5 is combined with R6 to represent alkylene or represents hydrogen, hydroxy, alkyl, phenyl or alkoxy, R6 represents (1) alkyl, (2) cycloalkyl, (3) phenyl, (4) a 5- to 10-membered aromatic heterocyclic group containing 1 to 3 heteroatoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, or (5) -N(R61)(R62).

  本发明提供了一种新颖的非阿片类鸦片肽家族受体拮抗剂，对各种疼痛具有镇痛作用。本发明涉及一种非阿片类鸦片肽家族受体拮抗剂，其通式为[1]或其药学上可接受的盐。在通式[1]中，R1代表氢或类似物，R2代表氢或类似物，R3和R4相同或不同，代表氢、烷基、烷氧基或卤素，R5与R6结合代表烷基或代表氢、羟基、烷基、苯基或烷氧基，R6代表(1)烷基、(2)环烷基、(3)苯基、(4)含有1至3个杂原子的5-至10-成员芳香杂环基，所述杂原子选自氮原子、氧原子和硫原子组成的群，或(5)-N(R61)(R62)。
• Quinazoline derivative and medicine
  申请人：Okano Masahiko

  公开号：US20050176741A1

  公开（公告）日：2005-08-11

  An object of the present invention is to provide an antipruritic agent having a novel action mechanism. The present invention provides an antipruritic agent comprising a compound represented by the following general formula (1): wherein R 1 represents a hydrogen atom or alkyl; the ring Q represents a cyclohexylene group or a phenylene group; A 1 and A 2 represent a single bond or an alkylene group; E represents —NHCO—; A 3 represents a single bond or a divalent saturated or unsaturated aliphatic hydrocarbon group; R 3 represents a non-cyclic aliphatic hydrocarbon group; and R 4 and R 5 are the same or different and each represents a hydrogen atom or alkyl, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明的目的是提供一种具有新的作用机制的止痒剂。本发明提供一种止痒剂，其包括以下通式（1）所表示的化合物：其中R1表示氢原子或烷基；环Q表示环己亚基或苯亚基；A1和A2表示单键或烷基；E表示—NHCO—；A3表示单键或二价饱和或不饱和脂肪族碳氢基团；R3表示非环烷基碳氢基团；R4和R5相同或不同，分别表示氢原子或烷基，或其药学上可接受的盐作为活性成分。
• QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Okano Masahiko

  公开号：US20100022566A1

  公开（公告）日：2010-01-28

  The present invention relates to novel quinazoline derivatives with less skin irritation and an excellent action of strongly suppressing scratching behavior, and pharmaceutical compositions containing a quinazoline derivative as an active ingredient. The present invention is directed to the quinazoline derivatives represented by the general formula [1] or pharmaceutically acceptable salts thereof. In the general formula [1], R 1 represents hydrogen or the like; R 2 represents hydrogen or the like; R 3 and R 4 are the same or different and represent hydrogen, alkyl, alkoxy or halogen; R 5 is combined with R 6 to represent alkylene or represents hydrogen, hydroxy, alkyl, phenyl or alkoxy; R 6 represents alkyl, cycloalkyl, phenyl, a 5- to 10-membered aromatic heterocyclic group containing one to three heteroatoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, or —N(R 6-1 )(R 6-2 ).

  本发明涉及一种新型喹唑啉衍生物，具有较少的皮肤刺激和优异的强烈抑制搔抓行为的作用，以及含有喹唑啉衍生物作为活性成分的药物组合物。本发明涉及由通式[1]表示的喹唑啉衍生物或其药学上可接受的盐。在通式[1]中，R1表示氢或类似物；R2表示氢或类似物；R3和R4相同或不同，表示氢、烷基、烷氧基或卤素；R5与R6结合表示烷基或表示氢、羟基、烷基、苯基或烷氧基；R6表示烷基、环烷基、苯基、含有从一到三个异原子中的一种或几种（所述异原子选自氮原子、氧原子和硫原子）的5-至10-成员芳香杂环基，或—N(R6-1)(R6-2)。
• Quinazoline derivatives and medicaments
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：US07718663B2

  公开（公告）日：2010-05-18

  An object of the present invention is to provide an antipruritic agent having a novel action mechanism. The present invention provides an antipruritic agent comprising a compound represented by the following general formula (1): wherein R1 represents a hydrogen atom or alkyl; the ring Q represents a cyclohexylene group or a phenylene group; A1 and A2 represent a single bond or an alkylene group; E represents —NHCO—; A3 represents a single bond or a divalent saturated or unsaturated aliphatic hydrocarbon group; R3 represents a non-cyclic aliphatic hydrocarbon group; and R4 and R5 are the same or different and each represents a hydrogen atom or alkyl, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明的目的是提供一种具有新型作用机制的止痒剂。本发明提供了一种止痒剂，其包括下述通式（1）所代表的化合物：其中，R1代表氢原子或烷基；环Q代表环己亚基或苯亚基；A1和A2代表单键或烷基；E代表—NHCO—；A3代表单键或二价饱和或不饱和脂肪族碳氢基团；R3代表非环烷基碳氢基团；R4和R5相同或不同，每个代表氢原子或烷基，或其药学上可接受的盐作为活性成分。
• QUINAZOLINE DERIVATIVE AND MEDICINE
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP1500652A1

  公开（公告）日：2005-01-26

  An object of the present invention is to provide an antipruritic agent having a novel action mechanism. The present invention provides an antipruritic agent comprising a compound represented by the following general formula (1): wherein R1 represents a hydrogen atom or alkyl; the ring Q represents a cyclohexylene group or a phenylene group; A1 and A2 represent a single bond or an alkylene group; E represents -NHCO-; A3 represents a single bond or a divalent saturated or unsaturated aliphatic hydrocarbon group; R3 represents a non-cyclic aliphatic hydrocarbon group; R4 and R5 are the same or different and each represents a hydrogen atom or alkyl, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明的目的是提供一种具有新作用机制的止痒剂。 本发明提供了一种止痒剂，它包括由下式通式（1）代表的化合物： 其中R1代表氢原子或烷基；环Q代表环己烯基团或亚苯基；A1和A2代表单键或亚烷基；E代表-NHCO-；A3代表单键或二价饱和或不饱和脂族烃基；R3代表非环脂族烃基；R4和R5相同或不同，各自代表氢原子或烷基，或其作为活性成分的药学上可接受的盐。