4-Brom-2-chinazolon | 28735-10-6

• 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: 4-Brom-2-chinazolon
• 英文别名: 4-Brom-chinazolon-(2)；4-bromo-1H-quinazolin-2-one；Bromoquinazolinone；4-bromo-3H-quinazolin-2-one
• CAS: 28735-10-6
• 化学式: C₈H₅BrN₂O
• 分子量: 225.044
• InChiKey: ARAWRJRLPGSPQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  1

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。
• Heterocyclic compounds
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0248554A2

  公开（公告）日：1987-12-09

  The use of compounds of formula (IIA) where R³ is halogen, CF₃ or methyl R4ʹ is methyl or ethyl; and R5ʹ is OR⁶ or -NHSO₂R⁷ wherein R⁶ is hydrogen, optionally substituted C1-10 alkyl, C2-10 alkenyl, optionally substituted C2-10 alkynyl, C3-6 cycloalkyl, optionally substituted aryl or a cation, and R⁷ is C1-10 alkyl or halo C1-10 alkyl; as herbicides in particular as selective herbicides in rice or maize. Certain compounds of formula (IIA) are novel and form another aspect of the invention.

  使用式（IIA）化合物 其中 R³ 是卤素、CF₃ 或甲基 R4ʹ 是甲基或乙基；以及 R5ʹ 是 OR⁶ 或 -NHSO₂R⁷，其中 R⁶ 是氢、任选取代的 C1-10 烷基、C2-10 烯基、任选取代的 C2-10 烷基、C3-6 环烷基、任选取代的芳基或阳离子，而 R⁷ 是 C1-10 烷基或卤代 C1-10 烷基；作为除草剂，特别是作为水稻或玉米的选择性除草剂。某些式（IIA）化合物是新颖的，构成了本发明的另一个方面。
• 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.