2-acetyl-N,N-dimethylbenzamide | 113985-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetyl-N,N-dimethylbenzamide
• 英文别名: N,N-dimethyl-2-acetylbenzamide；Acetyl-N,N-dimethylbenzamide
• CAS: 113985-11-8
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: BBSIIQBJJLOFOR-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80 °C
• 沸点：
  345.6±25.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-acetyl-N,N-dimethylbenzamide 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以73%的产率得到1-(2-dimethylaminomethylphenyl)ethanol
  参考文献：
  名称：

  Kafka, Stanislav; Trska, Petr; Kytner, Jan, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 8, p. 2047 - 2056

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基苯甲酰氯 、 二甲胺 以 乙醚 、 甲苯 为溶剂， 反应 1.0h， 以55%的产率得到2-acetyl-N,N-dimethylbenzamide
  参考文献：
  名称：

  Kafka, Stanislav; Trska, Petr; Kytner, Jan, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 8, p. 2047 - 2056

  摘要：

  DOI：

文献信息

• [EN] DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS<br/>[FR] DÉRIVÉS D'ALCOOLS 1-PHÉNYL-2-PYRIDINYL ALKYLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE PHOSPHODIESTÉRASE
  申请人：CHIESI FARMA SPA

  公开号：WO2012168226A1

  公开（公告）日：2012-12-13

  The invention relates to inhibitors of the phosphodiesterase 4 (PDE4) enzyme. More particularly, the invention relates to compounds that are derivatives of 1-phenyl-2-pyridinyl alkyl alcohols of formula (I), methods of preparing such compounds, compositions containing them and therapeutic use thereof.

  这项发明涉及磷酸二酯酶4（PDE4）的抑制剂。更具体地，该发明涉及公式（I）的1-苯基-2-吡啶基烷基醇衍生物化合物，制备这类化合物的方法，含有这些化合物的组合物以及它们的治疗用途。
• DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS
  申请人：Armani Elisabetta

  公开号：US20130005716A1

  公开（公告）日：2013-01-03

  Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols are useful as inhibitors of the phosphodiesterase 4 (PDE4) enzyme and the treatment of certain conditions such as COPD.

  1-苯基-2-吡啶基烷基醇的衍生物可用作磷酸二酯酶4（PDE4）的抑制剂，用于治疗慢性阻塞性肺疾病等某些疾病。
• 2'-Substituted chalcone derivatives as inhibitors of interleukin-1 biosynthesis
  作者：Douglas G. Batt、Robin Goodman、David G. Jones、Janet S. Kerr、Lisa R. Mantegna、Candice McAllister、Robert C. Newton、Sherrill Nurnberg、Patricia K. Welch、Maryanne B. Covington

  DOI：10.1021/jm00062a016

  日期：1993.5

  A series of 2'-substituted chalcone derivatives has been found to show potent inhibition of the production of IL-1beta from human peripheral blood monocytes stimulated with lipopolysaccharide (LPS), with IC50 values in the 0.2-5.0-muM range. Some members of the series have also shown inhibition of septic shock induced in mice by injection of LPS, although with low potency. Qualitative structure-activity relationships have shown that the enone is required for activity, which may be mediated by conjugate addition of a biological nucleophile to the chalcone. Electron-poor aromatic rings beta to the ketone give enhanced potency. Although electronic effects in the other ring (directly attached to the ketone) are minimal, this ring must possess an ortho substituent for good activity without cytotoxicity, suggesting a degree of selectivity which would not be expected for simple, nonspecific alkylating agents.
• KAFKA, S.;TRSKA, P.;KYTNER, J.;TAUFMANN, P.;FERLES, M., COLLECT. CZECHOSL. CHEM. COMMUN., 52,(1987) N 8, 2047-2056
  作者：KAFKA, S.、TRSKA, P.、KYTNER, J.、TAUFMANN, P.、FERLES, M.

  DOI：——

  日期：——
• US9931327B2
  申请人：——

  公开号：US9931327B2

  公开（公告）日：2018-04-03