4-bromo-5-nitrodimethylisophthalate | 144949-48-4

• 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: 4-bromo-5-nitrodimethylisophthalate
• 英文别名: dimethyl 4-bromo-5-nitroisophthalate；Dimethyl 4-bromo-5-nitrobenzene-1,3-dicarboxylate
• CAS: 144949-48-4
• 化学式: C₁₀H₈BrNO₆
• 分子量: 318.081
• InChiKey: HLZQKYGDXBBXMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-bromo-5-nitrodimethylisophthalate 在 tin(ll) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  芳香酸和酰胺的受体

  摘要：

  已将二硝基甲苯残基引入氢键键合的芳酸受体上，以实现堆积和电荷转移相互作用。这种新的受体在CDCl 3中与芳族客体的缔合常数差异很大，从间苯二甲酸甲酯为1.6×10 3到以对二甲氨基苯甲酸为1.5×10 6。

  DOI：

  10.1016/s0040-4039(00)60209-5
• 作为产物：
  描述：

  4-bromo-5-nitroisophthalic acid 在 硫酸 作用下， 以 甲醇 为溶剂， 以91%的产率得到4-bromo-5-nitrodimethylisophthalate
  参考文献：
  名称：

  Poly-iodinated compounds, process for their preparation, contrast medium

  摘要：

  该发明涉及一种新型多碘化合物，其一般式为：##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8、R.sub.9和R.sub.10，相同或不同，选自碘原子、##STR2##式的基团，但至少有两个R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8、R.sub.9和R.sub.10基团代表碘原子，可用于放射造影对比介质。该发明还涉及一种制备这些化合物的方法以及含有它们的对比介质。

  公开号：

  US05616798A1

文献信息

• [EN] DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE DIAZEPINOINDOLE EN TANT QU'INHIBITEURS DE KINASE
  申请人：PFIZER

  公开号：WO2004063198A1

  公开（公告）日：2004-07-29

  Protein kinase, such as CHK-1, inhibiting tricyclic compounds of the following formula (wherein R2, R3 and R4 are as defined in the specification) pharmaceutical compositions containing effective amounts of said compounds or their salts are useful as a single agent or in combination with an anti-neoplastic agent or therapeutic radiation having an anti-neoplastic effect for treating diseases or conditions, such as cancers.

  蛋白激酶，如CHK-1，抑制以下式的三环化合物（其中R2、R3和R4如规范中定义）的药物组合物，含有所述化合物或其盐的有效量，可用作单一药剂或与抗肿瘤药剂或具有抗肿瘤效果的治疗放射剂结合，用于治疗疾病或病况，如癌症。
• Xanthone Receptors as Oxyanion-Hole Mimics in Artificial Enzymes
  作者：Luis Simón、Francisco M. Muñiz、Silvia Sáez、César Raposo、Francisca Sanz、Joaquín R. Morán

  DOI：10.1002/hlca.200590133

  日期：2005.7

  self-association and to improve the design of the catalysts. The catalytic activity of the receptors has been tested towards the nucleophilic addition of pyrrolidine to unsaturated lactones. Since the resulting complexes were very weak in organic solvents, new receptors were developed for lactams, which showed better stabilities, and their catalytic activities were studied.

  不同呫吨酮类受体（2 - 10），用于内酯和内酰胺已经制备，以及这些化合物的模仿已知酶促“氧阴离子洞”结构的可行性进行了讨论。发现受体的自缔合对复合物的形成构成了严重的缺陷。受体二聚体的X射线晶体结构使我们能够了解其自缔合的原因，并改进了催化剂的设计。已经测试了受体对吡咯烷向不饱和内酯的亲核加成的催化活性。由于所得的络合物在有机溶剂中非常弱，因此开发了内酰胺的新受体，该受体表现出更好的稳定性，并对其催化活性进行了研究。
• TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY
  申请人：Benedict Suzanne

  公开号：US20070135415A1

  公开（公告）日：2007-06-14

  Protein kinase, such as CHK-1, inhibiting tricyclic compounds of the following formula (wherein R 2 , R 3 and R 4 are as defined in the specification) pharmaceutical compositions containing effective amounts of said compounds or their salts are useful as a single agent or in combination with an anti-neoplastic agent or therapeutic radiation having an anti-neoplastic effect for treating diseases or conditions such as cancers. The current invention relates to the making and using of such compounds.

  蛋白激酶，例如CHK-1，抑制以下式子中三环化合物（其中R2，R3和R4如规范所定义）的制剂（或其盐）的有效量的制药组合物，可用作单一剂量或与抗肿瘤剂或具有抗肿瘤作用的治疗性放射线组合使用，用于治疗癌症等疾病或病情。本发明涉及制备和使用这种化合物。
• Compositions comprising diazepinoindole derivatives as kinase inhibitors
  申请人：Pfizer, Inc.

  公开号：EP1947102A1

  公开（公告）日：2008-07-23

  The present invention relates to the combined use of a compound of formula (I) wherein A, X, Y, Z, R2, R3 and R4 are as defined in the description, and an anti-neoplastic agent, for the treatment of neoplasms.

  本发明涉及式（I）化合物的综合利用 其中 A、X、Y、Z、R2、R3 和 R4 如说明书中所定义、 和一种抗肿瘤剂，用于治疗肿瘤。
• A xanthone-based neutral receptor for zwitterionic amino acids
  作者：José V. Hernández、Francisco M. Muñiz、Ana I. Oliva、Luis Simón、Emilio Pérez、Joaquı́n R. Morán

  DOI：10.1016/s0040-4039(03)01795-7

  日期：2003.9

  Combination of a xanthone and crown ether provides a receptor that extracts phenylalanine from water. Strong anisotropic shifts were observed for the guest aromatic ring in the complex. The ninhydrin test was used to assess the amount of other amino acids extracted by this receptor. (C) 2003 Elsevier Ltd. All rights reserved.