4,5-difluoro-N-methyl-2-nitroaniline | 279231-42-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,5-difluoro-N-methyl-2-nitroaniline
• CAS: 279231-42-4
• 化学式: C₇H₆F₂N₂O₂
• 分子量: 188.134
• InChiKey: UXPQSEUSGVVMTK-UHFFFAOYSA-N

物化性质

• 沸点：
  282.8±40.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,5-difluoro-N-methyl-2-nitroaniline 在 4-二甲氨基吡啶 、 palladium on activated charcoal 、 氢气 、 caesium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 30.0~110.0 ℃ 、344.75 kPa 条件下， 反应 24.03h， 生成 tert-butyl (2-((3-chloropyridin-2-yl)amino)-4,5-difluorophenyl)(methyl)carbamate
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION
  [FR] PYRIDOINDOLES SUBSTITUÉS POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION BACTÉRIENNE

  摘要：

  本发明涉及式(I)或(II)的新化合物，其中R1至R6，R11至R17如本文所述，以及其药学上可接受的盐，以及包括这些化合物的组合物和使用这些化合物的方法。

  公开号：

  WO2020064661A1
• 作为产物：
  描述：

  2,4,5-三氟硝基苯 、 甲胺 在 Brine 、 乙酸乙酯 、 Sodium sulfate-III 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 4,5-difluoro-N-methyl-2-nitroaniline
  参考文献：
  名称：

  NOVEL COMPOUNDS

  摘要：

  本发明涉及式I的化合物，它们的用途是作为微粒体前列腺素E2合酶-1 (mPGES-1)的抑制剂，以及包含它们的制药组合物，以及用作治疗和/或预防炎症性疾病和相关病症的药物。其中，A、M、W、R1、R2、R3、R4、R6、R2、R7、R8、R9、Ra、Rb在说明中给出了它们的含义。

  公开号：

  US20120309738A1

文献信息

• [EN] 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION<br/>[FR] DÉRIVÉS DE 2-AMINO-BENZIMIDAZOLE UTILES DANS LE TRAITEMENT D'INFLAMMATION
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012076672A1

  公开（公告）日：2012-06-14

  This invention relates to compounds of formula (I), their use as inhibitors of the microsomal prostaglandin E2 synthase-1 (mPGES-1), pharmaceutical compositions containing them, and their use as medicaments for the 10 treatment and/or prevention of inflammatory diseases and associated conditions. A, M, W, R1, R2, R3, R4, R6, R2,R7, R8, R9, Ra, Rb have meanings given in the description.

  本发明涉及公式（I）的化合物，它们作为微体前列腺素E2合酶-1（mPGES-1）的抑制剂的使用，包含它们的药物组合物，以及它们作为治疗和/或预防炎症性疾病及相关状况的药物的使用。A、M、W、R1、R2、R3、R4、R6、R2、R7、R8、R9、Ra、Rb的含义在描述中给出。
• METALLOENZYME INHIBITOR COMPOUNDS
  申请人：Viamet Pharmaceuticals (NC), Inc.

  公开号：US20180185362A1

  公开（公告）日：2018-07-05

  Provided are compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

  提供具有金属酶调节活性的化合物，以及通过这些金属酶介导的治疗疾病、紊乱或症状的方法。
• [EN] TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION<br/>[FR] COMPOSÉS TRICYCLIQUES POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION BACTÉRIENNE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020109190A1

  公开（公告）日：2020-06-04

  The present invention relates to novel compounds of formula (I), wherein R1, R2, R3, R4, R5 and R6 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds as DNA gyrase and/or topoisomerase IV inhibitors in the treatment and/or prophylaxis of bacterial infection.

  本发明涉及式（I）的新化合物，其中R1、R2、R3、R4、R5和R6如本文所述，以及它们的前药或药学上可接受的盐、对映体或二对映体，以及包括这些化合物的组合物和使用这些化合物作为DNA旋转酶和/或拓扑异构酶IV抑制剂治疗和/或预防细菌感染的方法。
• Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors
  申请人：Hummersone Marc Geoffrey

  公开号：US20080194546A1

  公开（公告）日：2008-08-14

  There is provided a compound of formula I: wherein: one or two of X 5 , X 6 and X 8 is N, and the others are CH; R 7 is selected from halo, OR O1 , SR S1 , NR N1 R N2 , NR N7a C(═O)R C1 , NR N7b SO 2 R S2a , an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 5-20 aryl group, where R O1 and R S1 are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N1 and R N2 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N1 and R N2 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R C1 is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 1-7 alkyl group or NR N8 R N9 , where R N8 and R N9 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N8 and R N9 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R S2a is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N7a and R N7b are selected from H and a C 1-4 alkyl group; R N3 and R N4 , together with the nitrogen to which they are bound, form a heterocyclic ring containing between 3 and 8 ring atoms; R 2 is selected from H, halo, OR O2 , SR S2b , NR N5 R N6 , an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, wherein R O2 and R S2b are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N5 and R N6 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, or R N5 and R N6 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms, or a pharmaceutically acceptable salt thereof, with the proviso that when R 2 is unsubstituted morpholino. R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted morpholino and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not N and X 8 is not CH, or X 6 is not CH and X 8 is not N, and when R 2 is unsubstituted piperidinyl, R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted piperidinyl and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not CH and X is not N. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了一种化合物，其化学式为I：其中：X5、X6和X8中的一个或两个是N，其余为CH；R7选自卤素、ORO1、SRS1、NRN1RN2、NRN7aC（═O）RC1、NRN7bSO2RS2a、可选取代的C5-20杂环芳基基团或可选取代的C5-20芳基基团，其中RO1和RS1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN1和RN2独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN1和RN2与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RC1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团、可选取代的C1-7烷基基团或NRN8RN9，其中RN8和RN9独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN8和RN9与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RS2a选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN7a和RN7b选自H和C1-4烷基基团；RN3和RN4与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；R2选自H、卤素、ORO2、SRS2b、NRN5RN6、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，其中RO2和RS2b选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN5和RN6独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，或RN5和RN6与它们所连接的氮原子一起形成含有3至8个环原子的杂环环，或其药学上可接受的盐，但当R2为未取代的吗啡啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的吗啡啶基，R7为未取代的苯基，且X5为CH时，X6不是N且X8不是CH，或X6不是CH且X8不是N，当R2为未取代的哌啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的哌啶基，R7为未取代的苯基，且X5为CH时，X6不是CH且X不是N。还提供了制造化合物I的方法，以及将化合物I用作药物治疗癌症的用途。
• Compounds
  申请人：Priepke Henning

  公开号：US08466186B2

  公开（公告）日：2013-06-18

  This invention relates to compounds of formula I their use as inhibitors of the microsomal prostaglandin E2 synthase-1 (mPGES-1), to pharmaceutical compositions containing them, and their use as medicaments for the treatment and/or prevention of inflammatory diseases and associated conditions. A, M, W, R1, R2, R3, R4, R6, R2, R7, R8, R9, Ra, Rb have meanings given in the description.

  本发明涉及I式化合物，它们的用途是作为微粒体前列腺素E2合成酶-1（mPGES-1）的抑制剂，以及含有它们的制药组合物，以及它们作为治疗和/或预防炎症性疾病和相关病症的药物的用途。其中，A、M、W、R1、R2、R3、R4、R6、R2、R7、R8、R9、Ra、Rb的含义在说明中给出。