N-phenyl-N'-((1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-phenyl-N'-((1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)urea
• 英文别名: 1-[(1R,2S)-2-[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-3-phenylurea
• 化学式: C₃₁H₃₄N₄O₂
• 分子量: 494.637
• InChiKey: JMAWVPBEIPDAKE-MZJRLMRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  73.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (±)-cis-N-tert-butyloxycarbonyl-2-aminocyclohexanecarboxylic acid 在 盐酸 、 甲醇 、 氰基磷酸二乙酯 、 sodium carbonate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 、 乙酸乙酯 为溶剂， 反应 1.0h， 生成 N-phenyl-N'-((1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)urea
  参考文献：
  名称：

  [EN] FUSED QUINOLINE DERIVATIVE AND USE THEREOF
  [FR] DÉRIVÉ DE QUINOLINE FUSIONNÉE ET UTILISATION DE CELUI-CI

  摘要：

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及一种由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子，可选地具有取代基的碳氢基团等；R3是未取代的（即缺失），氢原子等；R4和R5相同或不同，每个是氢原子，可选地具有取代基的碳氢基团等；R6是（环状基团，可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个是氢原子，卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；---表示未取代的（即缺失）或单键；---表示单键或双键，或其盐等。

  公开号：

  WO2005105802A1

文献信息

• Fused Quinoline Derivative and Use Thereof
  申请人：Kajino Masahiro

  公开号：US20080039452A1

  公开（公告）日：2008-02-14

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein R 1 is a hydrogen atom and the like; R 2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R 3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R 4 and R 5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R 6 is (cyclic group optionally having substituent(s))-carbonyl, and the like; R 7 , R 8 , R 9 and R 10 are the same or different and each is a hydrogen atom, halogen and the like; or R 7 and R 8 , R 8 and R 9 , and R 9 and R 10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted (i.e., absence) or a single bond; and represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供一种具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，涉及一种由式（I）表示的化合物，其中R1为氢原子等；R2为氢原子、烃基可选地具有取代基等；R3为未取代（即不存在）、氢原子等；R4和R5相同或不同，每个都是氢原子、烃基可选地具有取代基等；R6为（环状基团可选地具有取代基）-羰基等；R7、R8、R9和R10相同或不同，每个都是氢原子、卤素等；或R7和R8、R8和R9以及R9和R10可以与相邻的碳原子一起形成环；n为1到5的整数；---表示未取代（即不存在）或单键；表示单键或双键，或其盐等。
• FUSED QUINOLINE DERIVATIVE AND USE THEREOF
  申请人：Kajino Masahiro

  公开号：US20090258893A1

  公开（公告）日：2009-10-15

  The present invention aims at provision of a quinoline derivative having a neurokinin 2 (NK2) receptor antagonistic action and relates to a compound represented by the formula (I) wherein R 1 is a hydrogen atom and the like; R 2 is a hydrogen atom, a hydrocarbon group optionally having substituent(s) and the like; R 3 is unsubstituted (i.e., absence), a hydrogen atom and the like; R 4 and R 5 are the same or different and each is a hydrogen atom, a hydrocarbon group optionally having substituent(s), and the like; R 6 is (cyclic group optionally having substituent(s))-carbonyl, and the like; R 7 , R 8 , R 9 and R 10 are the same or different and each is a hydrogen atom, halogen and the like; or R 7 and R 8 , R 8 and R 9 , and R 9 and R 10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; represents unsubstituted (i.e., absence) or a single bond; and represents a single bond or a double bond, or a salt thereof, and the like.

  本发明旨在提供具有神经激肽2（NK2）受体拮抗作用的喹啉衍生物，并涉及由式（I）表示的化合物，其中R1是氢原子等；R2是氢原子、烃基（可选取取代基等）等；R3是未取代（即不存在）、氢原子等；R4和R5相同或不同，且每个都是氢原子、烃基（可选取取代基等）等；R6是（环状基团可选取取代基等）-羰基等；R7、R8、R9和R10相同或不同，且每个都是氢原子、卤素等；或R7和R8、R8和R9、以及R9和R10可以与相邻的碳原子一起形成环；n是1到5的整数；表示未取代（即不存在）或单键；和表示单键或双键，或其盐等。
• Fused quinoline derivative and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2080760A1

  公开（公告）日：2009-07-22

  Use of a compound represented by the formula (I) wherein R1 is (1) unsubstituted, (2) a hydrogen atom, (3) a hydrocarbon group optionally having substituent(s) or (4) acyl; R2 is (1) a hydrogen atom, (2) a hydrocarbon group optionally having substituent(s), (3) hydroxy optionally having a substituent, (4) amino optionally having substituent(s), (5) thiol optionally having a substituent, (6) a heterocyclic group optionally having substituent(s) or (7) acyl; R3 is (1) unsubstituted, (2) a hydrogen atom, (3) a hydrocarbon group optionally having substituent(s), (4) hydroxy optionally having a substituent, (5) amino optionally havingsubstituent(s), (6) thiol optionally having a substituent or (7) acyl; R4 and R5 are the same or different and each is (1) a hydrogen atom, (2) a hydrocarbon group optionally having substituent (s), (3) hydroxyoptionallyhavingasubstituent, (4) amino optionally having substituent (s), (5) thiol optionally having a substituent or (6) acyl; R6 is (1) (cyclic group optionally having substituent(s))-carbonyl, (2) alkenylcarbonyl optionally having substituent (s), (3) alkylcarbonyl having substituent (s) selected from (i) cycloalkyl optionally having substituent (s), (ii) amino optionally having substituent(s) and (iii) a heterocyclic group optionally having substituent(s) or (4) a heterocyclic group optionally having substituent(s); R7, R8, R9 and R10 are the same or different and each is (1) a hydrogen atom, (2) halogen, (3) cyano, (4) nitro, (5) a hydrocarbon group optionally having substituent(s), (6) hydroxy optionally having a substituent, (7) amino optionally having substituent(s), (8) thiol optionally having a substituent, (9) a heterocyclic group optionally having substituent(s) or (10) acyl; or R7 and R8, R8 and R9, and R9 and R10 may form a ring together with the adjacent carbon atoms; n is an integer of 1 to 5; --- represents unsubstituted or a single bond; and; --- represents a single bond or a double bond, or a salt thereof, for the production of an agent for the prophylaxis or treatment of melancholia.

  使用式 (I) 所代表的化合物 其中 R1 是(1)未取代的氢原子，(2)氢原子，(3)任选具有取代基的烃基或(4)酰基； R2 是(1)氢原子，(2)任选具有取代基的烃基，(3)任选具有取代基的羟基，(4)任选具有取代基的氨基，(5)任选具有取代基的硫醇，(6)任选具有取代基的杂环基团或(7)酰基； R3 是(1)未取代的，(2)氢原子，(3)任选具有取代基的烃基，(4)任选具有取代基的羟基，(5)任选具有取代基的氨基，(6)任选具有取代基的硫醇或(7)酰基； R4 和 R5 相同或不同，各自是 (1) 氢原子，(2) 可选择具有取代基的烃基，(3) 可选择具有取代基的羟基，(4) 可选择具有取代基的氨基，(5) 可选择具有取代基的硫醇或 (6) 丙烯酸； R6 是(1)（任选具有取代基的环基）-羰基，(2)任选具有取代基的烯基羰基，(3)任选具有取代基的烷基羰基，这些取代基选自(i)任选具有取代基的环烷基，(ii)任选具有取代基的氨基和(iii)任选具有取代基的杂环基团或(4)任选具有取代基的杂环基团； R7、R8、R9 和 R10 相同或不同，且各自为：(1) 氢原子，(2) 卤素，(3) 氰基，(4) 硝基，(5) 任选具有取代基的烃基，(6) 任选具有取代基的羟基，(7) 任选具有取代基的氨基，(8) 任选具有取代基的硫醇，(9) 任选具有取代基的杂环基团或 (10) 丙烯酸基；或 R7 和 R8、R8 和 R9 以及 R9 和 R10 可与相邻的碳原子一起形成一个环； n 是 1 至 5 的整数； ----代表未取代或单键；以及 ----代表单键或双键，或其盐，用于生产预防或治疗忧郁症的制剂。
• US7592453B2
  申请人：——

  公开号：US7592453B2

  公开（公告）日：2009-09-22
• US7973163B2
  申请人：——

  公开号：US7973163B2

  公开（公告）日：2011-07-05