N-(3,4-二氯苯基)-4-甲基苯甲酰胺 | 86886-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3,4-二氯苯基)-4-甲基苯甲酰胺
• 英文名称: N-(3,4-dichlorophenyl)-4-methylbenzamide
• CAS: 86886-82-0
• 化学式: C₁₄H₁₁Cl₂NO
• mdl: MFCD00783816
• 分子量: 280.153
• InChiKey: MOUZICNKNGGSKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(3,4-二氯苯基)-4-甲基苯甲酰胺 在 tetraphosphorus decasulfide 作用下， 以 吡啶 为溶剂， 反应 3.0h， 以97%的产率得到N-(3,4-Dichloro-phenyl)-4-methyl-thiobenzamide
  参考文献：
  名称：

  Waisser, Karel; Houngbedji, Nestor; Machacek, Milos, Collection of Czechoslovak Chemical Communications, 1990, vol. 55, # 1, p. 307 - 316

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲基苯甲酰氯 、 3,4-二氯苯胺 在 吡啶 作用下， 以99%的产率得到N-(3,4-二氯苯基)-4-甲基苯甲酰胺
  参考文献：
  名称：

  Design, synthesis and structure–activity relationship of new HSL inhibitors guided by pharmacophore models

  摘要：

  Hormone-sensitive lipase (HSL) is a critical enzyme involved in the hormonally regulated release of fatty acids and glycerol from adipocyte lipid stores. Its inhibition may improve insulin sensitivity and blood glucose handling in type 2 diabetes. Accordingly, many small-molecule HSL inhibitors have recently been identified. In continuation of our efforts for discovery of new HSL inhibitors, we prepared a variety of esters, amides, sulfonamides and sulfonate esters capable of fitting two pharmacophore models that we developed and published earlier. The tested compounds were synthesized via coupling reactions of aroyl chlorides or sulfonyl chlorides with phenols, amines and related derivatives. Our efforts led to the identification of interesting compounds of low micromolar anti-HSL bioactivities, which have potential to be developed into effective antidiabetic agents.

  DOI：

  10.1007/s00044-013-0616-2

文献信息

• Promotion of the [PPN][Rh(CO)4]-catalysed carbonylation of nitrobenzene by 2-hydroxypyridine and related molecules: an apparent bifunctional activation
  作者：Fabio Ragaini、Emma Gallo、Sergio Cenini

  DOI：10.1016/s0022-328x(99)00502-1

  日期：2000.1

  2-Hydroxypyridine and related molecules have a large activating effect on the previously reported [PPN][Rh(CO)4]-based catalytic system for the reductive carbonylation of nitrobenzene to methyl phenylcarbamate (PPN+=(PPh3)2N+). The effect is not due to the known 2-hydroxypyridine–2-pyridone tautomeric equilibrium, since 4-hydroxypyridine, for which the same tautomeric equilibrium exists, completely

  2-羟基吡啶和相关分子对先前报道的基于[PPN] [Rh（CO）4 ]的催化体系具有很大的活化作用，该体系可将硝基苯还原羰基化为苯基氨基甲酸甲酯（PPN + =（PPh 3）2 N +） 。该作用不是由于已知的2-羟基吡啶-2-吡啶酮互变异构平衡所致，因为存在相同互变异构平衡的4-羟基吡啶完全抑制了反应。在先前分离的金属环配合物[PPN] [，据信是催化反应的中间体。然而，催化反应速率对苯胺浓度的依赖性表明，发现的化学计量反应的影响不可能是与催化反应的加速有关的影响。因此，存在两种不同的作用，这两种作用似乎都归因于启动子分子中碱性位点和酸性位点的近端位置。
• METHODS FOR TREATING HEPATITIS C
  申请人：Karp Gary Mitchell

  公开号：US20120009142A1

  公开（公告）日：2012-01-12

  In accordance with the present invention, compounds that inhibit viral replication, preferably Hepatitis C Virus (HCV) replication, have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the treatment or prevention of a viral infection are provided. In another aspect of the invention, compounds useful in the treatment or prevention of HCV infection are provided.

  根据本发明，已经鉴定出抑制病毒复制的化合物，优选地是抑制丙型肝炎病毒（HCV）复制的化合物，并提供了使用这些化合物的方法。在本发明的一个方面，提供了用于治疗或预防病毒感染的化合物。在本发明的另一个方面，提供了用于治疗或预防HCV感染的化合物。
• WAISSER, KAREL;HOUNGBEDJI, NESTOR;MACHACEK, MILOS;SEKERA, MIROSLAV;URBAN,+, COLLECT. CZECHOSL. CHEM. COMMUN., 55,(1990) N, C. 307-316
  作者：WAISSER, KAREL、HOUNGBEDJI, NESTOR、MACHACEK, MILOS、SEKERA, MIROSLAV、URBAN,+

  DOI：——

  日期：——
• US7973069B2
  申请人：——

  公开号：US7973069B2

  公开（公告）日：2011-07-05
• Design, synthesis and structure–activity relationship of new HSL inhibitors guided by pharmacophore models
  作者：Jumana D. Al-Shawabkeh、Afaf H. Al-Nadaf、Lina A. Dahabiyeh、Mutasem O. Taha

  DOI：10.1007/s00044-013-0616-2

  日期：2014.1

  Hormone-sensitive lipase (HSL) is a critical enzyme involved in the hormonally regulated release of fatty acids and glycerol from adipocyte lipid stores. Its inhibition may improve insulin sensitivity and blood glucose handling in type 2 diabetes. Accordingly, many small-molecule HSL inhibitors have recently been identified. In continuation of our efforts for discovery of new HSL inhibitors, we prepared a variety of esters, amides, sulfonamides and sulfonate esters capable of fitting two pharmacophore models that we developed and published earlier. The tested compounds were synthesized via coupling reactions of aroyl chlorides or sulfonyl chlorides with phenols, amines and related derivatives. Our efforts led to the identification of interesting compounds of low micromolar anti-HSL bioactivities, which have potential to be developed into effective antidiabetic agents.