3-(1-phenyl-1-oxoprop-2-yl)-quinazolin-4-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(1-phenyl-1-oxoprop-2-yl)-quinazolin-4-one
• 英文别名: 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: DMLGQLXIKNVUDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(1-benzoylethyl)-2-(formylamino)-benzamide 以 N-甲基吡咯烷酮 为溶剂， 生成 3-(1-phenyl-1-oxoprop-2-yl)-quinazolin-4-one
  参考文献：
  名称：

  US2003/171387

  摘要：

  公开号：

文献信息

• Modulators of Rho C activity
  申请人：——

  公开号：US20030171387A1

  公开（公告）日：2003-09-11

  Compounds of formula 1 modulate the activity of Rho C: 1 wherein R 1 is H, lower alkyl, aralkyl, aryl-lower alkenyl, or —(CH 2 ) n CH(R 7 )NR 8 R 9 , where n is 0-6 inclusive, R 7 is H, lower alkyl, aryl, or aralkyl, R 8 is H, lower alkyl, cyclo-alkyl, aryl, or aralkyl, and R 9 is R, RCO—, ROCO—, or RNHCO—, where R is lower alkyl, cycloalkyl, aryl, or aralkyl, wherein aryl and aralkyl are substituted with 0-3 substituents selected from the group consisting of lower alkyl, halo, nitro, —OH, trifluoromethyl, or lower alkoxy; R 2 is lower alkyl, aryl, aralkyl, or —(CHR 10 ) m (CO)—R 11 , wherein m is 0-4, R 10 is H or lower alkyl, and R 11 is lower alkyl, cycloalkyl, aryl, or aralkyl, wherein aryl and aralkyl are substituted with 0-3 substituents selected from the group consisting of lower alkyl, halo, nitro, —OH, trifluoromethyl, or lower alkoxy; R 3 , R 4 , R 5 , and R 6 , are each independently H, lower alkyl, halo, nitro, OH, lower alkoxy, NH 2 , lower alkylamino, di(lower alkylamino), trifluoromethyl, or SH; or a pharmaceutically acceptable salt thereof.

  式子1的化合物调节Rho C的活性，其中R1为氢、低烷基、芳基烷基、芳基-低烯基或—(CH2)nCH(R7)NR8R9，其中n为0-6，R7为氢、低烷基、芳基或芳基烷基，R8为氢、低烷基、环烷基、芳基或芳基烷基，R9为R、RCO—、ROCO—或RNHCO—，其中R为低烷基、环烷基、芳基或芳基烷基，其中芳基和芳基烷基被0-3个来自下列基团的取代基取代：低烷基、卤素、硝基、—OH、三氟甲基或低烷氧基；R2为低烷基、芳基、芳基烷基或—(CHR10)m(CO)—R11，其中m为0-4，R10为氢或低烷基，R11为低烷基、环烷基、芳基或芳基烷基，其中芳基和芳基烷基被0-3个来自下列基团的取代基取代：低烷基、卤素、硝基、—OH、三氟甲基或低烷氧基；R3、R4、R5和R6各自独立地为氢、低烷基、卤素、硝基、—OH、低烷氧基、NH2、低烷基氨基、二(低烷基)氨基、三氟甲基或SH；或其药学上可接受的盐。
• Georgescu, Florentina; Georgescu; Caproiu, Miron T., Revue Roumaine de Chimie, 1999, vol. 44, # 4, p. 341 - 350
  作者：Georgescu, Florentina、Georgescu、Caproiu, Miron T.、Draghici, Constantin

  DOI：——

  日期：——
• US7053216B2
  申请人：——

  公开号：US7053216B2

  公开（公告）日：2006-05-30
• [EN] MODULATORS OF RHO C ACTIVITY<br/>[FR] MODULATEURS DE L'ACTIVITE DE RHO C
  申请人：ICONIX PHARM INC

  公开号：WO2003043961A2

  公开（公告）日：2003-05-30

  Compounds of formula 1 modulate the activity of Rho C: (Formula I) wherein R1 is H, lower alkyl, aralkyl, aryl-lower alkenyl, or (CH2)nCH(R7)NR8R9, where n is 0-6 inclusive, R7 is H, lower alkyl, aryl, or aralkyl, R8 is H, lower alkyl, cyclo-alkyl, aryl, or aralkyl, and R9 is R, RCO-, ROCO-, or RNHCO-, where R is lower alkyl, cycloalkyl, aryl, or aralkyl, wherein aryl and aralkyl are substituted with 0-3 substituents selected from the group consisting of lower alkyl, halo, nitro, -OH, trifluoromethyl, or lower alkoxy; R2 is lower alkyl, aryl, aralkyl, or (CHR10)m-(CO)-R11, wherein m is 0-4, R10 is H or lower alkyl, and R11 is lower alkyl, cycloalkyl, aryl, or aralkyl, wherein aryl and aralkyl are substituted with 0-3 substituents selected from the group consisting of lower alkyl, halo, nitro, -OH, trifluoromethyl, or lower alkoxy; R3, R4, R5 and R6 are each independtly H, lower alkyl, halo, nitro, OH, lowe alkoxy, NH2, lower alkylamino, di(lower alkylamino), trifluoromethyl, or SH; or a pharmaceutically acceptable salt thereof.
• US2003/171387
  申请人：——

  公开号：——

  公开（公告）日：——