3-[3-(2-indanyloxy)-4-methoxy-N-(4-pyridylmethyl)anilino]-2-methyl-2-cyclopenten-1-one | 1097949-70-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-[3-(2-indanyloxy)-4-methoxy-N-(4-pyridylmethyl)anilino]-2-methyl-2-cyclopenten-1-one
• 英文别名: 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(pyridin-4-ylmethyl)anilino]-2-methylcyclopent-2-en-1-one
• CAS: 1097949-70-6
• 化学式: C₂₈H₂₈N₂O₃
• 分子量: 440.542
• InChiKey: XRQMXXXZGLQTPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  51.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-[3-(2-indanyloxy)-4-methoxyanilino]-2-methyl-2-cyclopenten-1-one 、 4-氯甲基吡啶盐酸盐 以the title compound (yield 38.8%) was obtained as a brown oil的产率得到3-[3-(2-indanyloxy)-4-methoxy-N-(4-pyridylmethyl)anilino]-2-methyl-2-cyclopenten-1-one
  参考文献：
  名称：

  3-anilino-2-cycloalkenone derivatives

  摘要：

  化合物的结构式为(I)，其中，R1代表C1到C8烷基，可以带有取代基，但不包括甲基、C3到C7环烷基、3-四氢呋喃基、2-茚芳基等；R2代表C1到C4烷基；R3代表氢原子、C3到C7烷基，可以带有取代基、C3到C7环烷基等；R4代表氢原子、C1到C5烷基，可以带有取代基、卤素原子等；R5、R6、R7和R8独立地代表氢原子、C1到C5烷基，可以带有取代基等；X代表—(CR11R12)n—，其中n为0到2，R11和R12独立地代表氢原子、C1到C5烷基，可以带有取代基等，或—NR13—，其中R13代表氢原子或C1到C5烷基，可以带有取代基，以及其光学异构体或其药学上可接受的盐或其水合物或溶剂合物。

  公开号：

  US06235736B1

文献信息

• 3-ANILINO-2-CYCLOALKENONE DERIVATES
  申请人：Nikken Chemicals Company, Limited

  公开号：EP0994100A1

  公开（公告）日：2000-04-19

  A 3-anilino-2-cycloalkenone derivative of the formula (I): wherein, R1 represents a C1 to C8 alkyl group, which may have a substituent, except for a methyl group, a C3 to C7 cycloalkyl group, a 3-tetrahydrofuryl group, an 2-indanyl group, etc., R2 represents a C1 to C4 alkyl group, R3 represents a hydrogen atom, a C1 to C5 alkyl group, which may have a substituent, a C3 to C7 cycloalkyl group, etc., R4 represents a hydrogen atom, a C1 to C5 alkyl group, which may have a substituent, a halogen atom, etc., R5, R6, R7, and R8 independently represent a hydrogen atom, a C1 to C5 alkyl group, which may have a substituent, etc., X represents -(CR11R12)n-, wherein n is 0 to 2, R11 and R12 independently represent a hydrogen atom, a C1 to C5 alkyl group, which may have a substituent, etc. or -NR13- wherein R13 represents a hydrogen atom or a C1 to C5 alkyl group, which may have a substituent, and its optical isomers or their pharmaceutically acceptable salts or their hydrates or solvates.

  一种式（I）的 3-苯胺基-2-环烯酮衍生物： 其中，R1 代表一个 C1 至 C8 烷基，它可以有一个取代基，但甲基、C3 至 C7 环烷基、3-四氢呋喃基、2-茚基等除外；R2 代表一个 C1 至 C4 烷基；R3 代表一个氢原子、一个 C1 至 C5 烷基，它可以有一个取代基、一个 C3 至 C7 环烷基等；R4 代表一个氢原子、一个 C1 至 C5 烷基，它可以有一个取代基、一个卤素原子等、R5、R6、R7 和 R8 独立地代表氢原子、C1 至 C5 烷基（可带有取代基）等、X代表-(CR11R12)n-，其中n为0至2，R11和R12独立地代表氢原子、C1至C5烷基，可带有取代基等，或-NR13-，其中R13代表氢原子或C1至C5烷基，可带有取代基，及其光学异构体或它们的药学上可接受的盐或它们的水合物或溶液。
• REMEDIES FOR ALLERGIC EYE DISEASES
  申请人：Nikken Chemicals Company, Limited

  公开号：EP1410795A1

  公开（公告）日：2004-04-21

  An agent for the treatment of allergic eye disease containing a 3-anilino-2-cycloalkenone derivative having the formula (I): wherein R1 is an unsubstituted or substituted C1 to C8 alkyl group provided that an unsubstituted methyl group is excluded, a C3 to C7 cycloalkyl group, a C6 to C10 bicycloalkyl group or an indanyl group, etc., R2 is a C1 to C4 alkyl group, R3 is a hydrogen atom, a C1 to C5 alkyl group, a C3 to C7 cycloalkyl group, etc., R4 is a hydrogen atom, an unsubstituted or substituted C1 to C5 alkyl group, a halogen atom, etc., R5, R6, R7 and R8 are independently a hydrogen atom, a C1 to C5 alkyl group, etc., X is -(CR11R12)n- or NR13-, wherein n is 0 to 2, R11, R12 and R13 are independently a hydrogen atom, a C1 to C5 alkyl group, etc.

  一种治疗过敏性眼病的制剂，含有具有式(I)的3-苯胺基-2-环烯酮衍生物： 其中 R1 是未取代或取代的 C1 至 C8 烷基（但不包括未取代的甲基）、C3 至 C7 环烷基、C6 至 C10 双环烷基或茚基等，R2 是 C1 至 C4 烷基，R3 是氢原子、C1 至 C5 烷基、C3 至 C7 环烷基等、R4 是氢原子、未取代或取代的 C1 至 C5 烷基、卤素原子等，R5、R6、R7 和 R8 独立地是氢原子、C1 至 C5 烷基等，X 是-(CR11R12)n- 或 NR13-，其中 n 是 0 至 2，R11、R12 和 R13 独立地是氢原子、C1 至 C5 烷基等。
• AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE
  申请人：Ina Shinji

  公开号：US20080306163A1

  公开（公告）日：2008-12-11

  An agent for the treatment of allergic eye disease containing a 3-anilino-2-cycloalkenone derivative having the formula (I): wherein R 1 is an unsubstituted or substituted C 1 to C 8 alkyl group provided that an unsubstituted methyl group is excluded, a C 3 to C 7 cycloalkyl group, a C 6 to C 10 bicycloalkyl group or an indanyl group, etc., R 2 is a C 1 to C 4 alkyl group, R 3 is a hydrogen atom, a C 1 to C 5 alkyl group, a C 3 to C 7 cycloalkyl group, etc., R 4 is a hydrogen atom, an unsubstituted or substituted C 1 to C 5 alkyl group, a halogen atom, etc., R 5 , R 6 , R 7 and R 8 are independently a hydrogen atom, a C 1 to C 5 alkyl group, etc., X is —(CR 11 R 12 ) n — or NR 13 —, wherein n is 0 to 2, R 11 , R 12 and R 13 are independently a hydrogen atom, a C 1 to C 5 alkyl group, etc.
• US6235736B1
  申请人：——

  公开号：US6235736B1

  公开（公告）日：2001-05-22
• US7772258B2
  申请人：——

  公开号：US7772258B2

  公开（公告）日：2010-08-10