2-硝基对苯二甲酸二甲酯 | 39020-35-4

• 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: 2-硝基对苯二甲酸二甲酯
• 英文名称: 2-nitroterephthalic acid diethyl ester
• 英文别名: nitro-terephthalic acid diethyl ester；Nitro-terephthalsaeure-diaethylester；diethyl nitroterephthalate；Diethyl 2-nitroterephthalate；diethyl 2-nitrobenzene-1,4-dicarboxylate
• CAS: 39020-35-4
• 化学式: C₁₂H₁₃NO₆
• 分子量: 267.238
• InChiKey: ADPASYSZBOYEJM-UHFFFAOYSA-N

物化性质

• 熔点：
  52-53 ºC
• 沸点：
  378.3±22.0 °C(Predicted)
• 密度：
  1.272

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2917399090

反应信息

• 作为反应物：
  描述：

  2-硝基对苯二甲酸二甲酯 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 乙醇 、 苯 为溶剂， 20.0 ℃ 、344.74 kPa 条件下， 反应 6.0h， 生成 2-(methoxyacetamido)terephthalic acid diethyl ester
  参考文献：
  名称：

  Pyrimidoquinazoline-Based Antitumor Agents. Design of Topoisomerase II to DNA Cross-linkers with Activity against Protein Kinases

  摘要：

  A series of pyrimidoquinazoline analogues, possessing either 4,5-g or 5,4-g fusion, were studied with respect to cytotoxicity, topoisomerase II inhibitory activity, in vivo activity, and DNA cleavage and DNA-protein cross-linking properties. These analogues were designed as electron-deficient anthraquinones with dual alkylating centers to cross-link DNA with topoisomerase II. Our studies verified the presence of DNA-protein cross-linking in vitro as well as topoisomerase II poisoning by pyrimidoquinazoline analogues. In addition, COMPARE analysis revealed that the pyrimidoquinazolines possess inhibitory activity against both topoisomerase II and protein kinases, such as the paullones, a dual property observed in other antineoplastic agents influencing phosphoester transfer.

  DOI：

  10.1021/jm020285l
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲酸 在 sodium hydroxide 、 五氯化磷 、 permanganate(VII) ion 作用下， 生成 2-硝基对苯二甲酸二甲酯
  参考文献：
  名称：

  Soderman; Johnson, Journal of the American Chemical Society, 1925, vol. 47, p. 1394

  摘要：

  DOI：

文献信息

• 2-substituted imidazoquinoxaline diones, a new class of GABA brain
  申请人：Neurogen Corporation

  公开号：US05130430A1

  公开（公告）日：1992-07-14

  The invention encompasses compounds of the formula: ##STR1## and the pharmaceutically acceptable non-toxic salts thereof wherein R.sub.1, R.sub.2, R.sub.3, and R.sub.4 represent organic or inorganic substituents; X represents hydrogen, halogen, hydroxy or amino and W represents phenyl, thienyl or pyridyl, each of which may be unsubstituted or mono or disubstituted with organic or inorganic substituents. These compounds are highly selective agonists, antagonists or inverse agonists for GABA a brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine drugs, and enhancement of memory.

  这项发明涵盖了以下化合物的公式：##STR1##及其在药学上可接受的非毒性盐，其中R.sub.1、R.sub.2、R.sub.3和R.sub.4代表有机或无机取代基；X代表氢、卤素、羟基或氨基，W代表苯基、噻吩基或吡啶基，每个基可能未取代或单取代或双取代有机或无机取代基。这些化合物是高度选择性的GABA a脑受体的激动剂、拮抗剂或逆激动剂，或其前药，可用于焦虑、睡眠和癫痫障碍的诊断和治疗、苯二氮卓类药物过量和记忆增强。
• Certain imidazoquinoxalines; a new class of GABA brain receptor ligands
  申请人：Neurogen Corporation

  公开号：US05744602A1

  公开（公告）日：1998-04-28

  The invention encompasses compounds of the formula: ##STR1## and the pharmaceutically acceptable salts thereof wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, and X are variables; and W is phenyl optionally substituted with straight or branched chain lower alkyl having 1-6 carbon atoms or straight or branched chain lower alkoxy having 1-6 carbon atoms. These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine drugs, and enhancement of memory.

  本发明涵盖以下式的化合物：##STR1##及其药学上可接受的盐，其中R.sub.1，R.sub.2，R.sub.3，R.sub.4和X是变量；W是苯基，可选用直链或支链低碳链烷基，其具有1-6个碳原子或直链或支链低碳链烷氧基，其具有1-6个碳原子。这些化合物是高度选择性的GABAa脑受体的激动剂，拮抗剂或反向激动剂或其前药，可用于诊断和治疗焦虑、睡眠和癫痫障碍、苯二氮卓类药物过量和增强记忆。
• Certain imidazoquinoxalines: a new class of GABA brain receptor ligands
  申请人：Neurogen Corporation

  公开号：US06268496B1

  公开（公告）日：2001-07-31

  This invention encompasses compounds of the formula: and the pharmaceutically acceptable non-toxic salts thereof wherein R1, R2, R3, R4, X, and W are variables. These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine drugs, and enhancement of memory.

  这项发明涵盖了以下公式的化合物：以及其药学上可接受的无毒盐，其中R1，R2，R3，R4，X和W是变量。这些化合物是高度选择性的GABAa脑受体的激动剂，拮抗剂或反向激动剂，或者是其前药，可用于诊断和治疗焦虑症、睡眠障碍和癫痫、苯二氮平药物过量和增强记忆。
• Cohen; de Pennington, Journal of the Chemical Society, 1918, vol. 113, p. 63
  作者：Cohen、de Pennington

  DOI：——

  日期：——
• RIGID-ROD POLYMERS
  申请人：MAXDEM INCORPORATED

  公开号：EP0401296A1

  公开（公告）日：1990-12-12