5-(p-Butoxyphenyl)-1,3-cyclohexanedione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(p-Butoxyphenyl)-1,3-cyclohexanedione
• 英文别名: 5-(p-butoxyphenyl)cyclohexane-1,3-dione；5-(4-Butoxyphenyl)cyclohexane-1,3-dione
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: ZWSGOXVKTZBIRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-<4-Dimethylamino-benzylidenamino>-naphthalin 、 5-(p-Butoxyphenyl)-1,3-cyclohexanedione 以 乙醇 为溶剂， 反应 1.0h， 以43%的产率得到2-(4-Butoxyphenyl)-5-[4-(dimethylamino)phenyl]-1H,2H,3H,4H,5H,6H-benzo[A]phenanthridin-4-one
  参考文献：
  名称：

  Kozlov; Gusak; Bezborodov, Russian Journal of Organic Chemistry, 2000, vol. 36, # 1, p. 88 - 92

  摘要：

  DOI：

文献信息

• Modulators of Rho C activity
  申请人：——

  公开号：US20030171390A1

  公开（公告）日：2003-09-11

  Compounds of formula 1 modulate the activity of Rho C: 1 wherein R 1 is H, OH, or lower alkyl; R 2 , R 3 , R 4 , R 5 , and R 6 are each independently H, halo, lower alkyl, OH, lower alkoxy, NH 2 , lower alkylamino, di(lower alkyl)amino, SH, lower alkylthio, NO 2 , or two residues together form a heterocyclic ring; R 7 , R 8 , R 9 , and R 10 are each independently H, lower alkyl, OH, NH 2 , aryl, or aralkyl, where aryl and aralkyl are substituted with 0-3 moieties selected from the group consisting of halo, OH, NH 2 , lower alkyl, lower alkoxy, SH, lower alkylthio, and lower alkylamino; R 11 , R 12 , R 13 , R 14 , R 15 , and R 16 are each independently H, halo, lower alkyl, OH, lower alkoxy, or NO 2 ; or a pharmaceutically acceptable salt thereof

  式 1 的化合物可调节 Rho C 的活性： 1 其中 R 1 是 H、OH 或低级烷基； R 2 , R 3 , R 4 , R 5 和 R 6 各自独立地为 H、卤代、低级烷基、OH、低级烷氧基、NH 2 、低级烷基氨基、二（低级烷基）氨基、SH、低级烷硫基、NO 2 或两个残基共同形成一个杂环； R 7 , R 8 , R 9 和 R 10 各自独立地为 H、低级烷基、OH、NH 2 芳基或芳烷基，其中芳基和芳烷基被 0-3 个分子取代，这些分子选自卤代、OH、 NH 2 、低级烷基、低级烷氧基、SH、低级烷硫基和低级烷氨基； R 11 , R 12 , R 13 , R 14 , R 15 和 R 16 各自独立地为 H、卤代、低级烷基、OH、低级烷氧基或 NO 2 ; 或其药学上可接受的盐
• Condensation of 2-naphthylamine with aromatic aldehydes and substituted cyclohexane-1,3-diones
  作者：N. G. Kozlov、K. N. Gusak

  DOI：10.1134/s1070363206020204

  日期：2006.2

  New 12-aryl(or hetaryl)-9-methyl(or 4-butoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin- 11-ones possessing two asymmetric carbon atoms (C-9 and C-12) were synthesized by condensation of 5-methyl or 5-(4-butoxyphenyl)cyclohexane-1,3-dione with 2-naphthylamine and aromatic or heteroaromatic aldehydes. According to the H-1 NMR data, the products were isolated as mixtures of diastereoisomers.
• US6800634B2
  申请人：——

  公开号：US6800634B2

  公开（公告）日：2004-10-05
• [EN] MODULATORS OF RHO C ACTIVITY<br/>[FR] MODULATEURS DE L'ACTIVITE DE RHO C
  申请人：ICONIX PHARM INC

  公开号：WO2003043582A2

  公开（公告）日：2003-05-30

  Compounds of formula (1) modulate the activily of Rho C, wherein R1 is H, OH, or lower alkyl; R2, R3, R4, R5 and R6 are each independently H, halo, lower alkyl, OH, lower alkoxy, NH2, lower alkylamino, di(lower alkyl)amino, SH, lower alkylthio, NO2, or two residues together form a heterocyclic ring; R7, R8, R9 and R10 are each independently H, lower alkyl, OH, NH2, aryl, or aralkyl, where aryl and aralkyl are substituted with 0-3 moieties selected from the group consisting of halo, OH, NH2, lower alkyl, lower alkoxy, SH, lower alkylthio, and lower alkylamino; R11, R12, R13, R14, R15, and R16 are each independently H, halo, lower alkyl, OH, lower alkoxy, or NO2; or a pharmaceutically acceptable salt thereof.