5-cyano-1-(4-methoxy-phenyl)-4-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid | 128639-57-6

• 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: 5-cyano-1-(4-methoxy-phenyl)-4-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid
• 英文别名: 5-Cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid；5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxylic acid
• CAS: 128639-57-6
• 化学式: C₁₄H₁₁N₃O₄
• 分子量: 285.259
• InChiKey: IBXLCCZQJPZGBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-cyano-1-(4-methoxy-phenyl)-4-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid 反应 0.5h， 以70%的产率得到4-Cyano-5-methyl-2-(4'-methoxyphenyl)pyridazin-3(2H)-one
  参考文献：
  名称：

  Elnagdi, Mohamed Hilmy; Erian, Ayman Wahba; Sadek, Kamal Usef, Journal of Chemical Research, Miniprint, 1990, # 5, p. 1124 - 1142

  摘要：

  DOI：
• 作为产物：
  描述：

  3-oxo-2-(2-(4-methoxyphenyl)hydrazono)butanoic acid ethyl ester 在 ammonium acetate 、 水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.75h， 生成 5-cyano-1-(4-methoxy-phenyl)-4-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY
  [FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME SONDES D'IMAGERIE DE PATHOLOGIE TAU

  摘要：

  Formula I中的吡啶嗪酮化合物：（I），其中：R'是烷基或Ar，可选择地取代为至少一个烷基，卤素，羟基，烷氧基，卤代烷氧基，酸，酯，氨基，硝基，酰胺，或烷氧基卤代；2 R独立地是烷基，炔基，酯，氨基，酰胺，酸，芳基，杂环芳基，氨基烷基，-C(=0)烷基，-C(=0)芳基，-C(=0)杂环芳基，-C(=0)杂环烷基，-C(=0)杂环烷基Ar，-C(=0)(CH2)n卤代，-C(=0)(CH2)n杂环基，或-SC^Ar，可选择地取代为至少一个烷基，烷基卤代，卤素，硝基，芳基，杂环芳基，或杂环芳基(CH2)n卤代；R3和R4独立地是氢，烷基，烯基，炔基，芳基，杂环芳基；Ar是芳基，杂环芳基，环烷基，杂环烷基基团；n是0-10之间的整数；或其放射标记衍生物。所述化合物可用作阿尔茨海默病中Tau病理的成像探针。还描述了制备这种化合物的组成物和方法。

  公开号：

  WO2013090497A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME SONDES D'IMAGERIE DE PATHOLOGIE TAU
  申请人：GE HEALTHCARE LTD

  公开号：WO2013090497A1

  公开（公告）日：2013-06-20

  Pyridazinone compounds of Formula I: (I) wherein: R' is alkyl or Ar, optionally substituted with at least one alkyl, halo¬ gen, hydroxyl, alkoxy, haloalkoxy, acid, ester, amino, nitro, amide, or alkoxyhalo; 2 R is independently alkyi, alkynyl, ester, amino, amide, acid, aryl, heteroaryl, aminoalkyl, -C(=0)alkyl, -C(=0)aryl, -C(=0)heteroaryl, -C(=0)heterocycloalkyl, - C(=0)heterocycloalkylAr, -C(=0)(CH2)nhalo, -C(=0)(CH2)nheterocyclyl, or -SC^Ar, optionally substituted with at least one alkyi, alkylhalo, halogen, nitro, aryl, heteroaryl, or heteroaryl(CH2)nhalo; R 3 and R4 are independently hydrogen, alkyi, alkenyl, alkynyl, aryl, heteroaryl; Ar is an aryl, heteroaryl, cycloalkyl, heterocycloalkyl group; n is an integer from 0-10; or a radiolabeled derivative thereof. The compounds are useful as imaging probes of Tau pathology in Alzheimer's disease are described. Compositions and methods of making such compounds are also described.

  Formula I中的吡啶嗪酮化合物：（I），其中：R'是烷基或Ar，可选择地取代为至少一个烷基，卤素，羟基，烷氧基，卤代烷氧基，酸，酯，氨基，硝基，酰胺，或烷氧基卤代；2 R独立地是烷基，炔基，酯，氨基，酰胺，酸，芳基，杂环芳基，氨基烷基，-C(=0)烷基，-C(=0)芳基，-C(=0)杂环芳基，-C(=0)杂环烷基，-C(=0)杂环烷基Ar，-C(=0)(CH2)n卤代，-C(=0)(CH2)n杂环基，或-SC^Ar，可选择地取代为至少一个烷基，烷基卤代，卤素，硝基，芳基，杂环芳基，或杂环芳基(CH2)n卤代；R3和R4独立地是氢，烷基，烯基，炔基，芳基，杂环芳基；Ar是芳基，杂环芳基，环烷基，杂环烷基基团；n是0-10之间的整数；或其放射标记衍生物。所述化合物可用作阿尔茨海默病中Tau病理的成像探针。还描述了制备这种化合物的组成物和方法。
• POLYFUNCTIONALLY SUBSTITUTED HETEROCYCLES: SYNTHESIS OF NEW POLYFUNCTIONALLY SUBSTITUTED PHTHALAZINES, PYRIDO[3,4-C]PYRIDAZINES AND PYRAZOLO[3,4-C]PYRIDAZINES
  作者：Ayman Wahba Erian、Yehya Mahmoud Elkholy、Elham Ezz Al-arab、Mohamed Hilmy Elnagdf

  DOI：10.1080/10426509708043501

  日期：1997.3.1

  Abstract Several new alkylpyridine and pyridazine derivatives have been synthesized. The reactivity of these alkylazines towards aromatic aldehydes and sulphur are reported. New syntheses of pyrido[3,4-C]pyridines and phthalazines were achieved.

  摘要 合成了几种新的烷基吡啶和哒嗪衍生物。报道了这些烷基嗪对芳香醛和硫的反应性。实现了吡啶并[3,4-C]吡啶和酞嗪的新合成。
• PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS
  申请人：Djaballah Hakim

  公开号：US20100210649A1

  公开（公告）日：2010-08-19

  The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.

  本发明涉及式(I)的吡啶二酮化合物和式(II)的呋喃化合物，以及式(I)和(II)化合物的制药组合物、包含这些化合物的试剂盒、合成方法，以及通过给予式(I)或(II)化合物的治疗有效量来治疗受体内增生性疾病的方法。这两类化合物是通过筛选小分子库的集合而确定的。
• HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY
  申请人：GE HEALTHCARE LIMITED

  公开号：US20150004100A1

  公开（公告）日：2015-01-01

  Pyridazinone compounds of Formula I: (I) wherein: R′ is alkyl or Ar, optionally substituted with at least one alkyl, halogen, hydroxyl, alkoxy, haloalkoxy, acid, ester, amino, nitro, amide, or alkoxyhalo; 2 R is independently alkyi, alkynyl, ester, amino, amide, acid, aryl, heteroaryl, aminoalkyl, —C(=0)alkyl, —C(=0)aryl, —C(=0)heteroaryl, —C(=0)heterocycloalkyl, —C(=0)heterocycloalkylAr, —C(=0)(CH 2 ) n halo, —C(═O)(CH 2 )nheterocyclyl, or —SĈAr, optionally substituted with at least one alkyi, alkylhalo, halogen, nitro, aryl, heteroaryl, or heteroaryl(CH 2 )nhalo; R 3 and R 4 are independently hydrogen, alkyi, alkenyl, alkynyl, aryl, heteroaryl; Ar is an aryl, heteroaryl, cycloalkyl, heterocycloalkyl group; n is an integer from 0-10; or a radiolabeled derivative thereof. The compounds are useful as imaging probes of Tau pathology in Alzheimer's disease are described. Compositions and methods of making such compounds are also described.

  公式I中的吡啶并酮化合物：(I) 其中：R′是烷基或Ar，可选地被至少一种烷基，卤素，羟基，烷氧基，卤代烷氧基，酸，酯，氨基，硝基，酰胺或烷氧卤代基取代；2R独立地是烷基，炔基，酯，氨基，酰胺，酸，芳基，杂芳基，氨基烷基，-C（= 0）烷基，-C（= 0）芳基，-C（= 0）杂芳基，-C（= 0）杂环烷基，-C（= 0）杂环烷基Ar，-C（= 0）（CH2）n卤代基，-C（═O）（CH2）nheterocyclyl或-SĈAr，可选地被至少一种烷基，烷基卤代基，卤素，硝基，芳基，杂芳基或杂芳基（CH2）n卤代基取代；R3和R4独立地是氢，烷基，烯基，炔基，芳基，杂芳基；Ar是芳基，杂芳基，环烷基，杂环烷基基团；n是0-10的整数；或其放射性标记衍生物。这些化合物可用作阿尔茨海默病中Tau病理学的成像探针。还描述了制备这种化合物的组合物和方法。
• US6169087
  申请人：——

  公开号：——

  公开（公告）日：——