4-(benzothiazol-6-ylamino)-6-(benzylamino)-[1,3,5]triazin-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-(benzothiazol-6-ylamino)-6-(benzylamino)-[1,3,5]triazin-2-ol
• 英文别名: 4-(Benzothiazol-6-ylamino)-6-benzylamino-[1,3,5]triazin-2-ol；6-(1,3-benzothiazol-6-ylamino)-4-(benzylamino)-1H-1,3,5-triazin-2-one
• 化学式: C₁₇H₁₄N₆OS
• 分子量: 350.404
• InChiKey: CQVHGVPCTLRAMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES<br/>[FR] COMPOSÉS DE DIAMINOTRIAZINE EN TANT QU'HERBICIDES
  申请人：BASF SE

  公开号：WO2015162169A1

  公开（公告）日：2015-10-29

  The present invention relates to diaminotriazine compounds and to their use as herbicides. The present invention also relates to agrochemical compositions for crop protection and to a method for controlling unwanted vegetation. Formula (I) wherein A is a fused saturated or unsaturated, 5-, 6-membered carbocycle or a fused saturated or unsaturated, 5-, 6-membered heterocycle; p is 1 or 2, q is 0, 1, 2 or 3; Rb is inter alia halogen, OH, CN, amino, NO2, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C1-C6-alkoxy, C2-C6-alkenyloxy, C2-C6-alkynyloxy, etc.; R1 is inter alia H, OH, S(O)2NH2, CN, C1-C6-alkyI, C2-C6-alkenyl, C2-C6-alkynyl, (C3-C6-cycloalkyl)-C1-C4-alkyl, C1-C6-alkoxy, etc.; R2 is inter alia H, OH, S(O)2NH2, CN, C1-C6-alkyI, C2-C6-alkenyl, C2-C6-alkynyl, (C3-C6-cycloalkyl)-C1-C4-alkyl, C1-C6-alkoxy, etc; X is a radical selected from the group consisting of CR3R4R5 phenyl, which is unsubstituted or carries 1, 2, 3, 4 or 5 radicals RAr; NR3aR3b, OR3c, S(O)kR3d, k being 1, 2 or 3, and including their agriculturally acceptable salts.

  本发明涉及二氨基三嗪化合物及其作为除草剂的用途。本发明还涉及用于作物保护的农药组合物以及控制不受欢迎植被的方法。其中化学式（I）中，A是融合的饱和或不饱和的5-、6-成员碳环或融合的饱和或不饱和的5-、6-成员杂环；p为1或2，q为0、1、2或3；Rb包括卤素、羟基、氰基、氨基、硝基、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、C1-C6-氧基、C2-C6-烯氧基、C2-C6-炔氧基等；R1包括氢、羟基、S(O)2NH2、氰基、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、（C3-C6-环烷基）-C1-C4-烷基、C1-C6-氧基等；R2包括氢、羟基、S(O)2NH2、氰基、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、（C3-C6-环烷基）-C1-C4-烷基、C1-C6-氧基等；X是从CR3R4R5苯基、NR3aR3b、OR3c、S(O)kR3d等中选择的基团，其中苯基未取代或携带1、2、3、4或5个基团RAr；k为1、2或3，包括其农业可接受的盐。
• [EN] 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS<br/>[FR] 4,6-DIAMINOSUBSTITUES-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES UTILISES EN TANT QU'INHIBITEURS DE LA PROTEINE TYROSINE KINASE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2004031184A1

  公开（公告）日：2004-04-15

  The invention is directed to compounds of Formulae (I, II, III) or (IV): wherein R, R1, R2, R3, A1 and A2 are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially VEGFR-2 (KDR), c-fms, c-met and tie-2 kinases. The invention is also directed toward methods of preparation of the compounds of Formulae (I, II, III) and (IV).

  该发明涉及具有以下化学式（I，II，III）或（IV）的化合物：其中R，R1，R2，R3，A1和A2如规范中所述，以及它们的溶剂化合物、水合物、互变异构体或药用可接受的盐，这些化合物抑制蛋白酪氨酸激酶，特别是VEGFR-2（KDR），c-fms，c-met和tie-2激酶。该发明还涉及制备具有化学式（I，II，III）和（IV）的化合物的方法。
• 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors
  申请人：——

  公开号：US20040110758A1

  公开（公告）日：2004-06-10

  The invention is directed to compounds of Formulae I, II, III or IV: 1 wherein R, R 1 , R 2 , R 3 , A 1 and A 2 are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially VEGFR-2 (KDR), c-fms, c-met and tie-2 kinases. The invention is also directed toward methods of preparation of the compounds of Formulae I, II, III and IV.

  本发明涉及公式I、II、III或IV的化合物：1其中R、R1、R2、R3、A1和A2如规范中所述，以及其溶剂化物、水合物、互变异构体或药学上可接受的盐，其抑制蛋白酪氨酸激酶，特别是VEGFR-2（KDR）、c-fms、c-met和tie-2激酶。本发明还涉及制备公式I、II、III和IV的化合物的方法。
• 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS
  申请人：Johnson & Johnson Pharmaceutical Research & Development, Inc.

  公开号：EP1549645A1

  公开（公告）日：2005-07-06
• DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES
  申请人：BASF SE

  公开号：EP3134400A1

  公开（公告）日：2017-03-01