1,2-bis(4-pyridyl)ethan-1-one | 42899-65-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-bis(4-pyridyl)ethan-1-one
• 英文别名: 1,2-di(pyridin-4-yl)ethan-1-one；4--pyridin；4-Picolyl-4-pyridylketon；1,2-di-pyridin-4-yl-ethanone；(pyrid-4-ylmethyl)-(pyrid-4-yl)-ketone；1,2-Di-[4]pyridyl-aethanon；1,2-di-[4]pyridyl-ethanone；1,2-dipyridin-4-ylethanone
• CAS: 42899-65-0
• 化学式: C₁₂H₁₀N₂O
• 分子量: 198.224
• InChiKey: LXGMDHBZAHEVLT-UHFFFAOYSA-N

物化性质

• 沸点：
  379.0±22.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2-bis(4-pyridyl)ethan-1-one 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 1-Methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
  参考文献：
  名称：

  3-Heteroaryl-2-pyridones:  Benzodiazepine Site Ligands with Functional Selectivity for α2/α3-Subtypes of Human GABA_A Receptor-Ion Channels

  摘要：

  A novel series of 3-heteroaryl-5,6-bis(aryl)-1-methyl-2-pyridones were developed with high affinity for the benzodiazepine (BZ) binding site of human gamma-aminobutyric acid (GABA(A)) receptor ion channels, low binding selectivity for alpha2- and/or alpha3- over alpha1-containing GABA(A) receptor subtypes and high binding selectivity over alpha5 subtypes. High affinity appeared to be associated with a coplanar conformation of the pyridone and sulfur-containing 3-heteroaryl rings resulting from an attractive S...O intramolecular interaction. Functional selectivity (i.e., selective efficacy) for alpha2 and/or alpha3 GABA(A) receptor subtypes over alpha1 was observed in several of these compounds in electrophysiological assays. Furthermore, an alpha3 subtype selective inverse agonist was proconvulsant and anxiogenic in rodents while an alpha2/alpha3 subtype selective partial agonist was anticonvulsant and anxiolytic, supporting the hypothesis that subtype selective BZ site agonists may provide new anxiolytic therapies.

  DOI：

  10.1021/jm0110789
• 作为产物：
  描述：

  4-(2-吡啶-4-基乙炔基)吡啶 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以78%的产率得到1,2-bis(4-pyridyl)ethan-1-one
  参考文献：
  名称：

  二吡啶基乙炔在酸性水溶液中的光诱导直接水合。

  摘要：

  在室温下通过紫外线照射，可实现在酸性水溶液中二吡啶基乙炔（DPA）的光诱导直接水合。这是无催化剂的反应，产率中等至良好，不对称的二吡啶基乙炔可提供相应的马尔可夫尼科夫加成产物。

  DOI：

  10.1039/d0cc01351j

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2004011410A1

  公开（公告）日：2004-02-05

  Compounds of formula (I):wherein variable groups are as defined within; for use in the inhibition of 11βHSD1 are described.

  式(I)的化合物：其中变量基团如定义内；用于抑制11βHSD1。
• Ketones
  申请人：Barton John Peter

  公开号：US20050272036A1

  公开（公告）日：2005-12-08

  Compounds of formula (I): wherein variable groups are as defined within; for use in the inhibition of 11βHSD1 are described.

  描述了式(I)的化合物：其中变量基团如定义的那样；用于抑制11βHSD1。
• Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20040058978A1

  公开（公告）日：2004-03-25

  The present invention relates to new substituted indolinones of general formula 1 wherein X and R 1 to R 5 are defined as in claim 1, the isomers and the salts thereof which have valuable properties. The above compounds of general formula I wherein R 1 denotes a hydrogen atom, a C 1-3 -alkyl group or a prodrug group have valuable pharmacological properties, particularly an inhibiting effect on various kinases, on viral cyclin and on receptor tyrosine kinases, and the other compounds of the above general formula I wherein R 1 does not represent a hydrogen atom, a C 1-3 -alkyl group or a prodrug group are valuable intermediate products for the preparation of the abovementioned compounds.

  本发明涉及一种新的通式1的取代吲哚酮，其中X和R1至R5的定义如权利要求书1中所述，其异构体和盐具有有价值的性质。通式I中的上述化合物，其中R1表示氢原子，C1-3-烷基或前药基，具有有价值的药理学性质，特别是对多种激酶、病毒细胞周期蛋白和受体酪氨酸激酶具有抑制作用，上述通式I中R1不表示氢原子、C1-3-烷基或前药基的其他化合物是制备上述化合物的有价值中间体。
• Use of bispyridines to improve labeling of nucleophiles
  申请人：Agilent Technologies, Inc.

  公开号：US11092595B2

  公开（公告）日：2021-08-17

  Bispyridines improve the labeling of nucleophiles, including amines and thiols and are particularly useful for improving labeling with acidic and basic labels. Use of bispyridines with such labels dramatically increases labeling compared to protocols without a bispyridine. The labeled nucleophile can then be subjected to standard analytical methods.

  双吡啶可以改善包括胺和硫醇在内的亲核物的标记效果，尤其适用于改善酸性和碱性标记的标记效果。与不使用双吡啶的方案相比，使用双吡啶与此类标签可显著提高标记效果。标记后的亲核物可用于标准分析方法。
• Taurins,A.; Blaga,A., Journal of Heterocyclic Chemistry, 1970, vol. 7, p. 1137 - 1141
  作者：Taurins,A.、Blaga,A.

  DOI：——

  日期：——