ethyl 4-nitrophenyl carbonate | 6132-45-2

• 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 4-nitrophenyl carbonate
• 英文别名: ethyl p-nitrophenyl carbonate；4-nitrophenyl ethyl carbonate；Kohlensaeure-p-nitrophenyl-ethylester；ethyl (4-nitrophenyl) carbonate
• CAS: 6132-45-2
• 化学式: C₉H₉NO₅
• mdl: MFCD00962732
• 分子量: 211.174
• InChiKey: OFJLSOXXIMLDDL-UHFFFAOYSA-N

物化性质

• 保留指数：
  1658

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-nitrophenyl carbonate 在 ammonium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 氨基甲酸乙酯
  参考文献：
  名称：

  Discovery of a Dual Tubulin Polymerization and Cell Division Cycle 20 Homologue Inhibitor via Structural Modification on Apcin

  摘要：

  Apcin is one of the few compounds that have been previously reported as a Cdc20 specific inhibitor, although Cdc20 is a very promising drug target. We reported here the design, synthesis, and biological evaluations of 2,2,2-trichloro-1-aryl carbamate derivatives as Cdc20 inhibitors. Among these derivatives, compound 9f was much more efficient than the positive compound apcin in inhibiting cancer cell growth, but it had approximately the same binding affinity with apcin in SPR assays. It is possible that another mechanism of action might exist. Further evidence demonstrated that compound 9f also inhibited tubulin polymerization, disorganized the microtubule network, and blocked the cell cycle at the M phase with changes in the expression of cyclins. Thus, it induced apoptosis through the activation of caspase-3 and PARP. In addition, compound 9f inhibited cell migration and invasion in a concentration-dependent manner. These results provide guidance for developing the current series as potential new anticancer therapeutics.

  DOI：

  10.1021/acs.jmedchem.9b02097
• 作为产物：
  描述：

  乙基苯基碳酸脂 在 硝酸 作用下， 生成 ethyl 4-nitrophenyl carbonate
  参考文献：
  名称：

  Ransom, Chemische Berichte, 1898, vol. 31, p. 1062,1065, 1268

  摘要：

  DOI：

文献信息

• 一种前药化合物及其在治疗癌症方面的应用
  申请人：润佳（苏州）医药科技有限公司

  公开号：CN112442011A

  公开（公告）日：2021-03-05

  本发明提供了式(I)的化合物及其药物上可接受的盐或酯，及其药物组合物；以及将本发明的化合物、药物组合物用于抑制或调节酪氨酸激酶的活性、治疗由酪氨酸激酶介导的包括癌症在内的疾病症状或病症。
• Triazolone derivatives
  申请人：Clark Richard

  公开号：US20080015199A1

  公开（公告）日：2008-01-17

  A Compound represented by the following general formula (1), salts thereof or hydrates of the foregoing is a novel compound useful for treatment and/or prevention of diseases associated with thrombus formation, and which is safer with suitable physicochemical stability. [wherein R 1a , R 1b , R 1c and R 1d each independently represent hydrogen, etc.; R 2 represents optionally substituted phenyl, etc.; R 3 represents optionally substituted C6-10 aryl, etc.; and Z 1 and Z 2 each independently represent hydrogen]

  以下一般式（1）表示的化合物，其盐或上述化合物的水合物是一种新型化合物，可用于治疗和/或预防与血栓形成相关的疾病，并且具有适当的物理化学稳定性，更安全。 [其中R1a，R1b，R1c和R1d分别独立表示氢等；R2表示可选择取代的苯基等；R3表示可选择取代的C6-10芳基等；Z1和Z2分别独立表示氢]
• [EN] NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN<br/>[FR] COMPOSÉS LIBÉRANT DE L'OXYDE NITRIQUE POUR LE TRAITEMENT DE DOULEURS NEUROPHATIQUES
  申请人：NICOX SA

  公开号：WO2011092065A1

  公开（公告）日：2011-08-04

  The present invention relates to nitric oxide releasing derivatives of serotonin norepinephrine reuptake inhibitors and their use for the treatment of pain, having the following general formula (I) or pharmaceutically acceptable salts thereof: wherein : A is selected from the formulas (1a) and (1b). The present invention also relates to pharmaceutical formulation comprising such derivatives, to a process for their preparation and to intermediates useful for their preparation.

  本发明涉及血清素去甲肾上腺素再摄取抑制剂的一氧化氮释放衍生物及其在治疗疼痛中的应用，具有以下一般式(I)或其药学上可接受的盐：其中：A选自式(1a)和(1b)。本发明还涉及包含这种衍生物的药物配方，以及用于它们的制备的过程和有用的中间体。
• Prodrugs of GABA analogs, compositions and uses thereof
  申请人：——

  公开号：US20040077553A1

  公开（公告）日：2004-04-22

  The present invention provides prodrugs of GABA analogs, pharmaceutical compositions of prodrugs of GABA analogs and methods for making prodrugs of GABA analogs. The present invention also provides methods for using prodrugs of GABA analogs and methods for using pharmaceutical compositions of prodrugs of GABA analogs for treating or preventing common diseases and/or disorders.

  本发明提供了GABA类似物的前药，GABA类似物前药的药物组合物以及制备GABA类似物前药的方法。本发明还提供了使用GABA类似物前药的方法，以及使用GABA类似物前药的药物组合物治疗或预防常见疾病和/或疾病的方法。
• Alkyl and Aryl 4,5-Dichloro-6-oxopyridazin-1(6H)-carboxylates: A Practical Alternative to Chloroformates for the Synthesis of Symmetric and Asymmetric Carbonates
  作者：Yong-Jin Yoon、Hyo Yoon、Hyun Moon、Gi Sung

  DOI：10.1055/s-0035-1561411

  日期：——

  Symmetric and asymmetric carbonates were synthesized by using alkyl or aryl 4,5-dichloro-6-oxopyridazin-1(6 H )-carboxylates. Five aryl 4,5-dichloro-6-oxopyridazin-1(6 H )-carboxylates were converted into the corresponding diaryl carbonates in good to excellent yields by treatment with potassium carbonate in refluxing THF. When the 4,5-dichloro-6-oxopyridazin-1(6 H )-carboxylates were treated with

  通过使用烷基或芳基 4,5-dichloro-6-oxopyridazin-1(6 H)-carboxylates 合成对称和不对称碳酸酯。通过在回流的四氢呋喃中用碳酸钾处理，五种芳基 4,5-二氯-6-氧代哒嗪-1(6 H)-羧酸酯以良好到极好的产率转化为相应的碳酸二芳基酯。当 4,5-二氯-6-氧代哒嗪-1(6 H )-羧酸酯在叔丁醇钾的存在下在甲苯中在室温下用脂肪族或芳香族醇处理时，它们得到相应的对称或不对称碳酸酯。以优异的产量。因此，烷基和芳基 4,5-二氯-6-氧代哒嗪-1(6 H )-羧酸酯是氯甲酸酯的高效、稳定且环保的替代品。

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