6-(3-甲基苯基)-3-氨基哒嗪 | 113121-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-(3-甲基苯基)-3-氨基哒嗪
• 英文名称: 6-(m-tolyl)pyridazin-3-amine
• 英文别名: 6-(3-methylphenyl)pyridazin-3-amine
• CAS: 113121-50-9
• 化学式: C₁₁H₁₁N₃
• 分子量: 185.228
• InChiKey: CJLLUBKJJUQVCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  6-(3-甲基苯基)-3-氨基哒嗪 、 2-萘乙酸 在 diimidazolylcarbodiimide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以40%的产率得到2-Naphthalen-2-yl-N-(6-m-tolyl-pyridazin-3-yl)-acetamide
  参考文献：
  名称：

  A Convenient 3-Step Synthesis of 3-Acetamido-6-arylpyridazines Directed to Novel Y5 Receptor Antagonist.

  摘要：

  3-乙酰氨基-6-芳基哒嗪作为潜在的NPY5拮抗剂的3步合成。

  DOI：

  10.1248/cpb.50.636
• 作为产物：
  描述：

  3-氨基-6-氯哒嗪 、 3-甲基苯硼酸 在 tris(triphenylphosphano)palladium sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 32.5h， 以60%的产率得到6-(3-甲基苯基)-3-氨基哒嗪
  参考文献：
  名称：

  Efficient one-step synthesis of 3-amino-6-arylpyridazines

  摘要：

  Starting from the commercially available 3-amino-6-chloropyridazine, 3-amino-6-arylpyridazines were prepared in good yields by means of a Suzuki cross-coupling reaction avoiding the somewhat lengthy four-step classic synthesis. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00134-4

文献信息

• [EN] PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY<br/>[FR] DÉRIVÉS DE PHTALIMIDE À TITRE DE MODULATEURS DE LA VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2015187094A1

  公开（公告）日：2015-12-10

  The present invention relates to compounds of formula (I), [Formula should be inserted here] pharmaceutically acceptable salts, solvates and polymorphs thereof, including all tautomers and stereoisomers thereof, wherein R1 is alkyl; alkoxy-alkyl-; carbocyclyl; heterocyclyl; aryl; heteroaryl; aryl-alkyl-; heteroaryl- alkyl-; carbocyclyl-alkyl-; or heterocyclyl-alkyl-; R2 is H or alkyl; R3 is H or alkyl; Y is aryl; heteroaryl; carbocyclyl; or heterocyclyl; and Z is aryl; heteroaryl; carbocyclyl; or heterocyclyl.

  本发明涉及化合物的公式（I），其药学上可接受的盐、溶剂和多型体，包括其所有互变异构体和立体异构体，其中R1是烷基；烷氧基烷基；碳环烷基；杂环烷基；芳基；杂芳基；芳基烷基；杂芳基烷基；碳环烷基烷基；或杂环烷基烷基；R2是H或烷基；R3是H或烷基；Y是芳基；杂芳基；碳环烷基；或杂环烷基；Z是芳基；杂芳基；碳环烷基；或杂环烷基。
• [EN] WNT PATHWAY MODULATORS<br/>[FR] MODULATEURS DE LA VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2015094119A1

  公开（公告）日：2015-06-25

  The present invention relates to dihydropyrazolo[l,5-a]pyrimidine compounds of formula I, defined herein, as WNT pathways modulators, processes for making them, and pharmaceutical compositions comprising them. Methods of treatment of conditions mediated by WNT pathway signalling including cancer, fibrosis, stem cell and diabetic retinopathy, rheumatoid arthritis, psoriasis and myocardial infarction, comprising the compounds of formula I are also provided.

  本发明涉及式I的二氢吡唑并[1,5-a]嘧啶化合物，其在此处定义为WNT通路调节剂，以及制备它们的方法和包含它们的药物组合物。还提供了使用式I化合物治疗通过WNT通路信号传导介导的疾病的方法，包括癌症、纤维化、干细胞和糖尿病性视网膜病变、类风湿性关节炎、牛皮癣和心肌梗死。
• [EN] MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY<br/>[FR] DÉRIVÉS DE MALÉIMIDE COMME MODULATEURS D'UNE VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2015094118A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph therof, including all tautomers and stereoisomers thereof wherein R1represents optionally substituted alkyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkoxy); optionally substituted carbocyclyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkyl, C1-6alkoxy, C1-6haloalkyl, C1-6haloalkoxy and halo); or -alkylaryl; R2 represents H; or alkyl; R3 represents H; or alkyl; U, V and W represent -(CH2)-; or U and V together represent -CH=CH- and W represents C=O; Y represents aryl; heteroaryl; optionally substituted carbocyclyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkyl, C1-6alkoxy, C1-6haloalkyl, C1-6haloalkoxy and halo); or optionally substituted heterocyclyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkyl, C1-6 alkoxy, -C(O)OC1-6alkyl, -C(O)C1-6alkyl and-C(O)NHC1-6alkyl); and Z represents aryl; heteroaryl; optionally substituted carbocyclyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkyl, C1-6alkoxy, C1- 6haloalkyl, C1-6haloalkoxy and halo); or optionally substituted heterocyclyl (wherein optional substituents include one or more substituents each independently selected from C1-6alkyl, C1-6. alkoxy, -C(O)OC1-6alkyl, -C(O)C1-6alkyl and -C(O)NHC1-6alkyl).

  本发明涉及式(I)的化合物，其组合物和用于疾病治疗的用途，或其药学上可接受的盐，溶剂或多晶体，包括其所有互变异构体和立体异构体，其中R1代表可选取代的烷基（其中可选取代基包括一个或多个从C1-6烷氧基中独立选择的基团）；可选取代的碳环烷基（其中可选取代基包括一个或多个从C1-6烷基，C1-6烷氧基，C1-6卤代烷基，C1-6卤代烷氧基和卤素中独立选择的基团）；或-烷基芳基；R2代表H；或烷基；R3代表H；或烷基；U，V和W代表-(CH2)-；或U和V组成-CH=CH-，而W代表C=O；Y代表芳基；杂芳基；可选取代的碳环烷基（其中可选取代基包括一个或多个从C1-6烷基，C1-6烷氧基，C1-6卤代烷基，C1-6卤代烷氧基和卤素中独立选择的基团）；或可选取代的杂环烷基（其中可选取代基包括一个或多个从C1-6烷基，C1-6烷氧基，-C（O）OC1-6烷基，-C（O）C1-6烷基和-C（O）NHC1-6烷基中独立选择的基团）；而Z代表芳基；杂芳基；可选取代的碳环烷基（其中可选取代基包括一个或多个从C1-6烷基，C1-6烷氧基，C1-6卤代烷基，C1-6卤代烷氧基和卤素中独立选择的基团）；或可选取代的杂环烷基（其中可选取代基包括一个或多个从C1-6烷基，C1-6烷氧基，-C（O）OC1-6烷基，-C（O）C1-6烷基和-C（O）NHC1-6烷基中独立选择的基团）。
• Wnt pathway modulators
  申请人：Agency for Science, Technology and Research

  公开号：US10189842B2

  公开（公告）日：2019-01-29

  The present invention relates to dihydropyrazolo[1,5-a]pyrimidine compounds of formula I, defined herein, as WNT pathways modulators, processes for making them, and pharmaceutical compositions comprising them. Methods of treatment of conditions mediated by WNT pathway signalling including cancer, fibrosis, stem cell and diabetic retinopathy, rheumatoid arthritis, psoriasis and myocardial infarction, comprising the compounds of formula I are also provided.

  本发明涉及作为 WNT 通路调节剂的式 I 所定义的二氢吡唑并[1,5-a]嘧啶化合物、其制造工艺以及包含它们的药物组合物。还提供了由 WNT 通路信号介导的病症的治疗方法，包括癌症、纤维化、干细胞和糖尿病视网膜病变、类风湿性关节炎、银屑病和心肌梗塞，其中包含式 I 化合物。
• WNT pathway modulators
  申请人：Agency for Science, Technology and Research

  公开号：US10870653B2

  公开（公告）日：2020-12-22

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein each of R1, R2, R3, R4, R5, W, X, Y, Z, and n is as defined herein.

  本发明涉及式（I）化合物、 或其药学上可接受的盐、溶液或多晶型，包括其所有同系物和立体异构体，其中 R1、R2、R3、R4、R5、W、X、Y、Z 和 n 中的每一个如本文所定义。