1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazole | 269723-03-7

• 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: 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazole
• 英文别名: 1-(4,6-Dichloro-[1,3,5]triazin-2-yl)-2-methylbenzimidazole；1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methylbenzimidazole
• CAS: 269723-03-7
• 化学式: C₁₁H₇Cl₂N₅
• 分子量: 280.116
• InChiKey: XQDCQPNAVMQQLU-UHFFFAOYSA-N

物化性质

• 沸点：
  549.1±33.0 °C(Predicted)
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazole 、 甲氧苯胺 以 乙腈 为溶剂， 生成 4-chloro-N-(4-methoxyphenyl)-6-(2-methyl-1H-benzimidazol-1-yl)-1,3,5-triazin-2-amine hydrochloride
  参考文献：
  名称：

  [EN] SUBSTITUTED TRIAZINE BMI-1 INHIBITORS
  [FR] INHIBITEURS DE BMI-1 DE TYPE TRIAZINE SUBSTITUÉE

  摘要：

  本文描述了替代三嗪化合物及其衍生物，其抑制B细胞特异性Moloney小鼠白血病病毒整合位点1（Bmi-1）蛋白的功能并降低其水平，以及用于抑制Bmi-1功能和降低Bmi-1水平以治疗由Bmi-1介导的癌症的方法。

  公开号：

  WO2015076801A1
• 作为产物：
  描述：

  2-甲基苯并咪唑 、 三聚氯氰 以 四氢呋喃 、 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 为溶剂， 生成 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazole
  参考文献：
  名称：

  Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides

  摘要：

  一种以一般式（I）表示的嘧啶基苯并咪唑或三嗪基苯并咪唑衍生物：其中A为N或CR3，而R1、R2、R3、X、Y和n如说明书所定义。

  公开号：

  US06576631B1

文献信息

• Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US06576631B1

  公开（公告）日：2003-06-10

  A pyrimidinylbenzimidazole or triazinylbenzimidazole derivative represented by the general formula (I): wherein A is N or CR3, and R1, R2, R3, X, Y and n are as defined in the disclosure.

  一种以一般式（I）表示的嘧啶基苯并咪唑或三嗪基苯并咪唑衍生物：其中A为N或CR3，而R1、R2、R3、X、Y和n如说明书所定义。
• Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural fungicides
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：US20040023966A1

  公开（公告）日：2004-02-05

  A pyrimidinylbenzimidazole or triazinylbenzimidazole derivative represented by the general formula (I): 1 wherein A is N or CR 3 , and R 1 , R 2 , R 3 , X, Y and n are as defined in the disclosure.

  一种以通式(I)表示的嘧啶基苯并咪唑或三嗪基苯并咪唑衍生物：其中A为N或CR3，而R1、R2、R3、X、Y和n如披露所定义。
• PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1132387A1

  公开（公告）日：2001-09-12

  A pyrimidinylbenzimidazole or triazinylbenzimidazole derivative represented by the general formula [I]:    (wherein A is N or CR3, each of R1 and R2 which are independent of each other, is a hydrogen atom, a halogen atom, a (C1-C6) alkyl group, a (C2-C6) alkenyl group, a (C2-C6) alkynyl group, a (C3-C6) cycloalkyl group, a (C1-C4) haloalkyl group, a (C1-C6) alkoxy group, a (C2-C6) alkenyloxy group, a (C2-C6) alkynyloxy group, a (C3-C6) cycloalkoxy group, a (C1-C4) haloalkoxy group, a cyano (C1-C4) alkyloxy group, a (C1-C4) alkoxy (C1-C4) alkyloxy group, a (C3-C6) cycloalkyl (C1-C4) alkoxy group, a benzyloxy group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group], a (C1-C6) alkylthio group, a (C1-C4) alkoxy (C1-C4) alkyl group, a phenoxy group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group], a (C1-C4) alkylcarbonyl group, a formyl group, a phenyl group, a di(C1-C4) alkylamino group, a cyano group or a (C1-C6) alkylsulfonyl group, R3 is a hydrogen atom, a (C1-C6) alkyl group, a (C1-C6) alkoxy group or a halogen atom, X is a hydrogen atom, a halogen atom, a nitro group, a cyano group, a (C1-C6) alkyl group, a (C2-C6) alkenyl group, a (C2-C6) alkynyl group, a (C3-C6) cycloalkyl group, a benzyl group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group], a (C1-C6) alkoxy group, a (C2-C6) alkenyloxy group, a (C2-C6) alkynyloxy group, a (C1-C6) alkylthio group, a (C1-C6) alkylsulfonyl group, a phenoxy group, a (C1-C4) alkoxy (C1-C4) alkyl group, a (C1-C4) haloalkyl group, a (C1-C4) haloalkoxy group, a (C1-C4) alkylcarbonyl group, a (C1-C4) alkoxycarbonyl group, an amino group, a mono(C1-C4) alkylamino group, a di(C1-C4) alkylamino group, an anilino group or a phenyl group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group], Y is a halogen atom, a nitro group, a cyano group, a (C1-C6) alkyl group, a (C2-C6) alkenyl group, a (C2-C6) alkynyl group, a (C1-C6) alkoxy group, a (C2-C6) alkenyloxy group, a (C2-C6) alkynyloxy group, a (C1-C4) haloalkoxy group, a (C1-C6) alkylthio group, a (C1-C4) alkoxy (C1-C4) alkyl group, a (C1-C4) haloalkyl group, a (C1-C4) alkylcarbonyl group, a (C1-C4) alkoxycarbonyl group, a benzoyl group, an amino group, a mono(C1-C4) alkylamino group, a di(C1-C4) alkylamino group, a phenyl group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group] or a phenoxy group [said group may be substituted by a halogen atom, a (C1-C4) alkyl group or a (C1-C4) alkoxy group], and n is 0 or an integer of from 1 to 3}.

  由通式[I]代表的嘧啶基苯并咪唑或三嗪基苯并咪唑衍生物： (C3-C6) 环烷氧基、(C1-C4) 卤代烷氧基、氰基 (C1-C4) 烷氧基、(C1-C4) 烷氧基、(C3-C6) 环烷基 (C1-C4) 烷氧基、苄氧基[所述基团可被卤原子、(C1-C4) 烷基或 (C1-C4) 烷氧基取代]、(C1-C6) 烷硫基、R3是氢原子、(C1-C6)烷基、(C1-C6)烷氧基、(C1-C6)烷硫基、(C1-C4)烷氧基(C1-C4)烷基、苯氧基[所述基团可被卤素原子、(C1-C4)烷基或(C1-C4)烷氧基取代]、(C1-C4)烷羰基、甲酰基、苯基、二(C1-C4)烷氨基、氰基或(C1-C6)烷磺酰基、X 是氢原子、卤素原子、硝基、氰基、(C1-C6)烷基、(C2-C6)烯基、(C2-C6)炔基、(C3-C6)环烷基、苄基[所述基团可被卤素原子、(C1-C4)烷基或(C1-C4)烷氧基取代]、(C1-C6)烷氧基、(C2-C6)烯氧基、(C2-C6)炔氧基、(C1-C6)烷硫基、(C1-C6)烷磺酰基、苯氧基、(C1-C4)烷氧基、(C1-C4)卤代烷基、(C1-C4)卤代烷氧基、(C1-C4)烷基羰基、(C1-C4)烷氧基羰基、氨基、Y 是卤素原子、硝基、氰基、(C1-C6) 烷基、(C2-C6) 烯基、(C2-C6) 烷炔基、(C1-C6)烷氧基、(C2-C6)烯氧基、(C2-C6)炔氧基、(C1-C4)卤代烷氧基、(C1-C6)烷硫基、(C1-C4)烷氧基、(C1-C4)卤代烷基、(C1-C4)烷基羰基、(C1-C4)烷氧基羰基、苯甲酰基、氨基、单(C1-C4)烷氨基、苯基[所述基团可被卤素原子、(C1-C4)烷基或(C1-C4)烷氧基取代]或苯氧基[所述基团可被卤素原子、(C1-C4)烷基或(C1-C4)烷氧基取代]，且 n 为 0 或 1 至 3 的整数}。
• PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1132387B1

  公开（公告）日：2005-09-28
• SUBSTITUTED TRIAZINE BMI-1 INHIBITORS
  申请人：PTC THERAPEUTICS, INC.

  公开号：US20160297798A1

  公开（公告）日：2016-10-13

  Amine substituted triazine compounds and forms thereof that inhibit the function and reduce the level of B-cell specific Moloney murine leukemia virus integration site 1 (Bmi-1) protein and methods for their use to inhibit Bmi-1 function and reduce the level of Bmi-1 to treat a cancer mediated by Bmi-1 are described herein.