ethyl 3,5-dimethyl-4-nitrobenzoate | 3095-50-9

• 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: ethyl 3,5-dimethyl-4-nitrobenzoate
• CAS: 3095-50-9
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: LXHYBLDIIOAWLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3,5-dimethyl-4-nitrobenzoate 在 1% Pd/C 、 氢气 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以3.47 g的产率得到4-氨基-3,5-二甲基苯甲酸乙酯］
  参考文献：
  名称：

  偶氮苯的邻位修饰对DNA杂交光调节效率及其顺式热稳定性的影响

  摘要：

  我们合成了相对于偶氮键在其邻位甲基化的各种偶氮苯，以更有效地调节DNA杂交的光。根据反式-顺式异构化引起的T m（ΔT m）的变化评估的光调节效率，与未改性的偶氮苯相比，与未改性的偶氮苯相比，所有邻位改性的偶氮苯均显着提高，这是因为反式形式更稳定，顺式形式更不稳定。中合成的偶氮苯，4-羧基-2'，6' - dimethylazobenzene（2'，6'--ME-偶氮），其中两个邻位远端苯环相对于羧基的位置被甲基化，表现出最大的ΔT m，而新合成的具有两个甲基的2,6-Me-偶氮（4-羧基-2,6-二甲基偶氮苯）另一个苯环的两个邻位显示出ΔT m的适度提高。NMR光谱分析和计算机建模均显示2'，6'-Me-偶氮上的两个甲基位于相邻碱基对的亚氨基质子附近。这些通过堆叠反式形式的相互作用来稳定DNA双链体，并通过顺式位阻使DNA双链体不稳定形式。此外，热稳定性的顺式2'，6'-ME-偶氮也大大提高，但不是说的顺式2

  DOI：

  10.1002/chem.200902789
• 作为产物：
  描述：

  均三甲苯 在 盐酸 、 硝酸 作用下， 生成 ethyl 3,5-dimethyl-4-nitrobenzoate
  参考文献：
  名称：

  Fittig; Brueckner, Justus Liebigs Annalen der Chemie, 1868, vol. 147, p. 50

  摘要：

  DOI：

文献信息

• Piperazine compounds and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US06455528B1

  公开（公告）日：2002-09-24

  The present invention relates to a piperazine compound of the formula wherein R1 and R2 are each hydrogen, halogen, lower alkyl, lower alkoxy, amino, substituted amino, nitro, hydroxy or cyano, R3, R4 and R5 are each hydrogen, halogen, lower alkyl, lower alkoxy, nitro, amino, substituted amino or hydroxy, R6 and R7 are each hydrogen, lower alkyl, lower alkyl substituted by halogen, aralkyl, acyl or lower acyl substituted by halogen, R8 and R9 are each hydrogen or lower alkyl, Y is lower alkylene and the like, and ring A is phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl, a pharmaceutically acceptable salt thereof and pharmaceutical agents containing these compounds. The compound of the present invention has superior TNF-&agr; production inhibitory effect and/or IL-10 production promoting effect, and, since it is free of or shows only strikingly reduced expression of an effect on the central nervous system, the compound is useful as a highly safe and superior TNF-&agr; production inhibitor an/or IL-10 production promoter and is useful as an agent for the prophylaxis or treatment of various diseases caused by abnormal TNF-&agr; production, diseases curable with IL-10, such as chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases due to infection, autoimmune diseases, allergic diseases, and TNF-&agr; mediated diseases.

  本发明涉及一种哌嗪化合物，其化学式为 其中R1和R2分别为氢、卤素、低烷基、低烷氧基、氨基、取代氨基、硝基、羟基或氰基，R3、R4和R5分别为氢、卤素、低烷基、低烷氧基、硝基、氨基、取代氨基或羟基，R6和R7分别为氢、低烷基、受卤素取代的低烷基、芳基烷基、酰基或受卤素取代的低酰基，R8和R9分别为氢或低烷基，Y为低烷基烯基等，环A为苯基、嘧啶基、噻唑基、吡啶基、吡啉基或咪唑基，其药学上可接受的盐及含有这些化合物的药物制剂。本发明的化合物具有优越的TNF-α产生抑制作用和/或IL-10产生促进作用，由于它不含或仅显示对中枢神经系统有显著减少的作用，该化合物可用作高度安全和优越的TNF-α产生抑制剂和/或IL-10产生促进剂，并可用作预防或治疗由异常TNF-α产生引起的各种疾病的药剂，例如可用于治疗可通过IL-10治愈的慢性炎症性疾病、急性炎症性疾病、感染引起的炎症性疾病、自身免疫疾病、过敏性疾病和TNF-α介导的疾病。
• Substituted benzamides with activity towards EP4 receptors
  申请人：Almirall, S.A.

  公开号：EP2765128A1

  公开（公告）日：2014-08-13

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  这项发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，以及它们作为药物用于治疗和/或预防由EP4受体介导的疾病或紊乱，以及包含它们的药物组合物。
• [EN] SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS<br/>[FR] BENZAMIDES SUBSTITUÉS MANIFESTANT UNE ACTIVITÉ VIS-À-VIS DES RÉCEPTEURS EP4
  申请人：DRACONIS PHARMA S L

  公开号：WO2014122267A1

  公开（公告）日：2014-08-14

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP4受体介导的疾病或紊乱的药物使用，以及包含它们的药物组合物。
• SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS
  申请人：DRACONIS PHARMA, S.L.

  公开号：US20150376129A1

  公开（公告）日：2015-12-31

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地说，它涉及具有对EP4受体具有高亲和力和选择性的一般式(I)化合物。本发明还涉及它们的制备过程，以及它们作为治疗和/或预防EP4受体介导的疾病或疾病的药物的使用，以及包含它们的制药组合物。
• Novel Opioid Peptide Derived Antagonists Containing (2<i>S</i>)-2-Methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic Acid [(2<i>S</i>)-Mdcp]
  作者：Animesh Ghosh、Jie Luo、Chen Liu、Grazyna Weltrowska、Carole Lemieux、Nga N. Chung、Yixin Lu、Peter W. Schiller

  DOI：10.1021/jm8004702

  日期：2008.9.25

  A synthesis of the novel tyrosine analogue (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp] (15) was developed. In (2S)-Mdcp, the amino and hydroxyl groups of 2',6'-dimethyltyrosine are replaced by a methyl and a carbamoyl group, respectively, and its substitution for Tyr(1) in opioid agonist peptides resulted in compounds showing antagonism at all three opioid receptors. The cyclic peptide (2S)Mdcp-c[D-Cys-Gly-Phe(pNO(2))-D-Cys]NH2 (1) Was a potent and selective mu antagonist, whereas (2S)-Mdcp-C[D-Pen-GIy-Phe(pF)-Pen]-Phe-OH (3) showed subnanomolar delta antagonist activity and extraordinary delta selectivity.