(S)-4-(benzothiazol-6-ylamino)-6-(1-phenylethylamino)-[1,3,5]triazin-2-ol | 677710-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: (S)-4-(benzothiazol-6-ylamino)-6-(1-phenylethylamino)-[1,3,5]triazin-2-ol
• 英文别名: 6-(1,3-benzothiazol-6-ylamino)-4-[[(1S)-1-phenylethyl]amino]-1H-1,3,5-triazin-2-one
• CAS: 677710-44-0
• 化学式: C₁₈H₁₆N₆OS
• 分子量: 364.431
• InChiKey: AXPFLJOHHUDXTE-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] NOVEL MANUFACTURING PROCESS FOR TRIAZINE, PYRIMIDINE AND PYRIDINE DERIVATIVES<br/>[FR] NOUVEAU PROCÉDÉ DE FABRICATION DE DÉRIVÉS DE TRIAZINE, PYRIMIDINE ET PYRIDINE
  申请人：UNIV BASEL

  公开号：WO2015162084A1

  公开（公告）日：2015-10-29

  The invention relates to a method of manufacturing triazine, pyrimidine and pyridine derivatives of formula (I), wherein U, V, W and Z are nitrogen or carbon atoms, whereby at least one of U, V and W is nitrogen, and the other substituents are defined as in the specification, by condensing a corresponding halo-triazine, pyrimidine or pyridine in a type of Suzuki coupling with a pyridyl- or pyrimidinyl-borane, wherein the amino function is protected as a formamidine. The invention further relates to suitable intermediates and methods of manufacturing of such intermediates. Furthermore the invention relates to pure 5-(4,6-dimorpholino-1,3,5- triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine in solid form.

  该发明涉及一种制造三嗪、嘧啶和吡啶衍生物的方法，其化学式为(I)，其中U、V、W和Z为氮或碳原子，其中至少一个为氮，其他取代基如说明书中所定义，通过将相应的卤代三嗪、嘧啶或吡啶与吡啶基或嘧啶基硼烷进行铂铃偶联反应，其中氨基功能以甲酰胺基进行保护。该发明还涉及适当的中间体和制造这些中间体的方法。此外，该发明还涉及固态纯的5-(4,6-二吗啉基-1,3,5-三嗪-2-基)-4-(三氟甲基)吡啶-2-胺。
• [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。
• Manufacturing process for triazine, pyrimidine and pyridine derivatives
  申请人：UNIVERSITAET BASEL

  公开号：US10100031B2

  公开（公告）日：2018-10-16

  The invention relates to a method of manufacturing triazine, pyrimidine and pyridine derivatives of formula (I), wherein U, V, W and Z are nitrogen or carbon atoms, whereby at least one of U, V and W is nitrogen, and the other substituents are defined as in the specification, by condensing a corresponding halo-triazine, pyrimidine or pyridine in a type of Suzuki coupling with a pyridyl- or pyrimidinyl-borane, wherein the amino function is protected as a formamidine. The invention further relates to suitable intermediates and methods of manufacturing of such intermediates. Furthermore the invention relates to pure 5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine in solid form.

  本发明涉及一种制造式(I)三嗪、嘧啶和吡啶衍生物的方法，其中 U、V、W 和 Z 为氮原子或碳原子，其中 U、V 和 W 中至少有一个为氮原子，其他取代基定义如说明书所述，制造方法是将相应的卤代三嗪、嘧啶或吡啶与吡啶基或嘧啶基硼烷通过一种类型的铃木偶联进行缩合，其中氨基功能作为甲脒受到保护。本发明还涉及合适的中间体和制造这种中间体的方法。此外，本发明还涉及固体形式的纯 5-(4,6-二吗啉基-1,3,5-三嗪-2-基)-4-(三氟甲基)吡啶-2-胺。