2-oxo-2,3-dihydrobenzimidazole-1-carboxylic acid (4,6-dimethylpyrimidin-2-yl) amide | 412352-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-oxo-2,3-dihydrobenzimidazole-1-carboxylic acid (4,6-dimethylpyrimidin-2-yl) amide
• 英文别名: N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-3H-benzimidazole-1-carboxamide
• CAS: 412352-50-2
• 化学式: C₁₄H₁₃N₅O₂
• 分子量: 283.29
• InChiKey: BLNCOBJCUUXCIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-4,6-二甲基嘧啶 、 2-hydroxybenzimidazolyl chloroformate 以 四氢呋喃 为溶剂， 生成 2-oxo-2,3-dihydrobenzimidazole-1-carboxylic acid (4,6-dimethylpyrimidin-2-yl) amide
  参考文献：
  名称：

  Heterocyclic angiogenesis inhibitors

  摘要：

  本发明涉及公式(I)1的新型抑制血管生成的化合物及其药学上可接受的盐，其中：Y是直接键或从CH2、NH、NR1、S、SO、SO2或O组成的链联基；Z是CO、CS、SO、SO2或C═NH；R1是H、烷基、烯基、炔基、环烷基、芳基、芳基烷基、酰基、烷氧基酰基、芳氧基酰基或氨基酰基；R2是O、S或NH；A是一个至三个环烷基或芳基环，其中这些环中的任何一个可以通过单键连接到其他环或与至少一个其他环融合，这些环在一个或多个位置可选择地被烷基、烷氧基、芳基、芳氧基、芳基烷基、芳基烷氧基、羟基、卤素、三卤甲基、S(O)R、SO2NRR′、SO3R、SR、B(OR)2、PR3、P(O)(OR)2、OP(O)(OR)2、NO2、NRR′、OR、CN、C(O)R、NHC(O)R、(CH2)nCO2R或CONRR′取代，其中R和R′各自独立地选择自H、烷基、烷氧基、芳基、芳氧基、芳基烷基和芳基烷氧基组成的群，n为0-11；B是烷基、芳基烷基或一个至三个环烷基或芳基环，其中任何环群可以通过单键连接到其他环或与至少一个其他环融合；这些烷基、芳基烷基或环群在一个或多个位置可选择地被烷基、烷氧基、芳基、芳氧基、芳基烷基、芳基烷氧基、羟基、卤素、三卤甲基、S(O)R、SO2NRR′、SO3R、SR、B(OR)2、PR3、P(O)(OR)2、OP(O)(OR)2、NO2、NRR′、OR、CN、C(O)R、NHC(O)R、(CH2)nCO2R或CONRR′取代，其中R和R′各自独立地选择自H、烷基、烷氧基、芳基、芳氧基、芳基烷基和芳基烷氧基组成的群，n为0-11，包括它们的药物组成和它们的用途。

  公开号：

  US20020128232A1

文献信息

• [EN] HETEROCYCLIC ANGIOGENESIS INHIBITORS<br/>[FR] INHIBITEURS D'ANGIOGENESE HETEROCYCLIQUES
  申请人：MATTHEWS BARRY R

  公开号：WO2002030886A2

  公开（公告）日：2002-04-18

  The present invention relates to novel angiogenic-inhibitory compounds of the formula (I) and pharmaceutically acceptable salts thereof, wherein: Y is a direct bond or a linker group selected from a group of CH2, NH, NR1, S, SO, SO2, or O; Z is CO, CS, SO, SO2, or C=NH; R1 is H, alkyl, alkenyl,alkynyl, cycloalkyl, aryl, arylalkyl, acyl, alkoxyacyl, aryloxyacyl, or aminoacyl groups; R2 is O, S, or NH; A is one to three cycloalkyl or aryl ring groups, in which any of these ring groups may be connected with other ring through a single bond or fused with at least one other ring, and these ring groups are optionally substituted at one or more positions with alkyl, alkoxy, aryl, aryloxy, arylalkyl, arylalkyloxy, hydroxyl, halogen, trihalomethyl, S(O)R, SO¿2?NRR', SO3R, SR, B(OR)2,PR3, P(O)(OR)2, OP(O)(OR)2, NO2, NRR', OR, CN, C(O)R, NHC(O)R, (CH2)nCO2R, or CONRR', wherein R and R' are each independently selected from the group consisting of H, alkyl, alkoxy, aryl, aryloxy, arylalkyl, and arylalkyloxy and n is 0-11; and B is alkyl, arylalkyl, or one to three cycloalkyl or aryl ring groups, in which any of ring groups may be connected with other ring through a single bond or fused with at least one other ring; and these alkyl, arylalkyl or ring groups are optionally substituted at one or more positions with aryl, alkoxy, aryloxy, arylalkyl, arylalkyloxy, hydroxyl, halogen, trihalomethyl, S(O)R, SO2NRR', SO3R, SR, B(OR)2, P(O)(OR)2, OP(O)(OR)2, NO2, NRR', OR, CN, C(O)R, NHC(OR)R, (CH2)nCO2R, or CONRR', wherein R and R' are each independently selected from the group consisting of H, alkyl, alkoxy, aryl, aryloxy, arylalkyl, arylalkyl, and arylalkyloxy and n is 0-11, pharmaceutical composition comprising them and their use.
• Heterocyclic angiogenesis inhibitors
  申请人：——

  公开号：US20020128232A1

  公开（公告）日：2002-09-12

  The present invention relates to novel angiogenic-inhibitory compounds of formula (I) 1 and pharmaceutically acceptable salts thereof, wherein: Y is a direct bond or a linker group selected from a group of CH 2 , NH, NR 1 , S, SO, SO 2 , or O; Z is CO, CS, SO, SO 2 , or C═NH; R 1 is H, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, arylalkyl, acyl, alkoxyacyl, aryloxyacyl, or aminoacyl groups; R 2 is O, S, or NH; A is one to three cycloalkyl or aryl ring groups, in which any of these ring groups may be connected with other ring through a single bond or fused with at least one other ring, and these ring groups are optionally substituted at one or more positions with alkyl, alkoxy, aryl, aryloxy, arylalkyl, arylalkyloxy, hydroxyl, halogen, trihalomethyl, S(O)R, SO 2 NRR′, SO 3 R, SR, B(OR) 2 , PR 3 , P(O)(OR) 2 , OP(O)(OR) 2 , NO 2 , NRR′, OR, CN, C(O)R, NHC(O)R, (CH 2 ) n CO 2 R, or CONRR′, wherein R and R′ are each independently selected from the group consisting of H, alkyl, alkoxy, aryl, aryloxy, arylalkyl, and arylalkyloxy and n is 0-11; and B is alkyl, arylalkyl, or one to three cycloalkyl or aryl ring groups, in which any of ring groups may be connected with other ring through a single bond or fused with at least one other ring; and these alkyl, arylalkyl or ring groups are optionally substituted at one or more positions with alkyl, alkoxy, aryl, aryloxy, arylalkyl, arylalkyloxy, hydroxyl, halogen, trihalomethyl, S(O)R, SO 2 NRR′, SO 3 R, SR, B(OR) 2 , PR 3 , P(O)(OR) 2 , OP(O)(OR) 2 , NO 2 , NRR′, OR, CN, C(O)R, NHC(O)R, (CH 2 ) n CO 2 R, or CONRR′, wherein R and R′ are each independently selected from the group consisting of H, alkyl, alkoxy, aryl, aryloxy, arylalkyl, and arylalkyloxy and n is 0-11, pharmaceutical composition comprising them and their use.

  本发明涉及公式(I)1的新型抑制血管生成的化合物及其药学上可接受的盐，其中：Y是直接键或从CH2、NH、NR1、S、SO、SO2或O组成的链联基；Z是CO、CS、SO、SO2或C═NH；R1是H、烷基、烯基、炔基、环烷基、芳基、芳基烷基、酰基、烷氧基酰基、芳氧基酰基或氨基酰基；R2是O、S或NH；A是一个至三个环烷基或芳基环，其中这些环中的任何一个可以通过单键连接到其他环或与至少一个其他环融合，这些环在一个或多个位置可选择地被烷基、烷氧基、芳基、芳氧基、芳基烷基、芳基烷氧基、羟基、卤素、三卤甲基、S(O)R、SO2NRR′、SO3R、SR、B(OR)2、PR3、P(O)(OR)2、OP(O)(OR)2、NO2、NRR′、OR、CN、C(O)R、NHC(O)R、(CH2)nCO2R或CONRR′取代，其中R和R′各自独立地选择自H、烷基、烷氧基、芳基、芳氧基、芳基烷基和芳基烷氧基组成的群，n为0-11；B是烷基、芳基烷基或一个至三个环烷基或芳基环，其中任何环群可以通过单键连接到其他环或与至少一个其他环融合；这些烷基、芳基烷基或环群在一个或多个位置可选择地被烷基、烷氧基、芳基、芳氧基、芳基烷基、芳基烷氧基、羟基、卤素、三卤甲基、S(O)R、SO2NRR′、SO3R、SR、B(OR)2、PR3、P(O)(OR)2、OP(O)(OR)2、NO2、NRR′、OR、CN、C(O)R、NHC(O)R、(CH2)nCO2R或CONRR′取代，其中R和R′各自独立地选择自H、烷基、烷氧基、芳基、芳氧基、芳基烷基和芳基烷氧基组成的群，n为0-11，包括它们的药物组成和它们的用途。