5-methoxy-4-(2-methoxy-ethoxy)-2-nitro-benzoic acid methyl ester | 870959-67-4

• 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: 5-methoxy-4-(2-methoxy-ethoxy)-2-nitro-benzoic acid methyl ester
• 英文别名: methyl 2-nitro-5-methoxy-4-(2-methoxyethoxy)benzoate；methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate；Methyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate
• CAS: 870959-67-4
• 化学式: C₁₂H₁₅NO₇
• 分子量: 285.254
• InChiKey: HEVOHTFFIRLSLC-UHFFFAOYSA-N

物化性质

• 沸点：
  422.4±45.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-methoxy-4-(2-methoxy-ethoxy)-2-nitro-benzoic acid methyl ester 在 甲醇 、 sodium dithionite 、 水 、 溶剂黄146 、 三氯氧磷 作用下， 生成 4-chloro-6-methoxy-7-(2-methoxyethoxy)quinazoline
  参考文献：
  名称：

  4-Quinazolinyloxy-diaryl ureas as novel BRAFV600E inhibitors

  摘要：

  Aryl phenyl ureas with a 4-quinazolinoxy substituent at the meta-position of the phenyl ring are potent inhibitors of mutant and wild type BRAF kinase. Compound 7 (1-(5-tert-butylisoxazol-3-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy) phenyl) urea hydrochloride) exhibits good pharmacokinetic properties in rat and mouse and is efficacious in a mouse tumor xenograft model following oral dosing. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.019
• 作为产物：
  描述：

  香草酸甲酯 在 甲基三辛基氯化铵 硝酸 、 potassium carbonate 作用下， 以 溶剂黄146 、 丙酮 为溶剂， 反应 38.58h， 生成 5-methoxy-4-(2-methoxy-ethoxy)-2-nitro-benzoic acid methyl ester
  参考文献：
  名称：

  WO2008/109599

  摘要：

  公开号：

文献信息

• Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline
  申请人：Shih Kae-Shyang

  公开号：US20100267949A1

  公开（公告）日：2010-10-21

  A method of synthesizing 6,7-substituted 4-anilino quinazoline employs 3,4-substituted benzoic acid as an initial reactant, and the 6,7-substituted 4-anilino quinazoline is obtained by an esterifying step, a nitrating step, a reducing step, a cyclizing step, and an one-pot reaction. In the above method, the initial reactant has low cost and yield. of the 6,7-substituted 4-anilino quinazoline is high, therefore, production cost can be reduced effectively, and competitive power of the product of the 6,7-substituted 4-anilino quinazoline can be improved.

  合成6,7-取代的4-苯胺喹唑啉的方法采用3,4-取代苯甲酸作为初始反应物，通过酯化步骤、硝化步骤、还原步骤、环化步骤和一锅法反应得到6,7-取代的4-苯胺喹唑啉。在上述方法中，初始反应物成本低且产率高。6,7-取代的4-苯胺喹唑啉的产率高，因此可以有效降低生产成本，提高6,7-取代的4-苯胺喹唑啉产品的竞争力。
• Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof
  申请人：WISSNER Allan

  公开号：US20080234300A1

  公开（公告）日：2008-09-25

  The present invention relates to pyrimido[5,4-c]quinoline-2,4-diamine derivatives, compositions comprising an effective amount of a Pyrimido[5,4-c]quinoline-2,4-diamine Derivative, methods for treating or preventing a proliferative disorder, comprising administering to a subject in need thereof an effective amount of an Pyrimido[5,4-c]quinoline-2,4-diamine Derivative, methods for modulating PDK-1 activity, comprising administering to a subject in need thereof an effective amount of a Pyrimido[5,4-c]quinoline-2,4-diamine Derivative. The invention also relates to a process for preparing a Pyrimido[5,4-c]quinoline-2,4-diamine Derivative.

  本发明涉及嘧啶并[5,4-c]喹啉-2,4-二胺衍生物，包括有效量的嘧啶并[5,4-c]喹啉-2,4-二胺衍生物的组合物，用于治疗或预防增生性疾病的方法，包括向需要的受试者施用有效量的嘧啶并[5,4-c]喹啉-2,4-二胺衍生物，用于调节PDK-1活性的方法，包括向需要的受试者施用有效量的嘧啶并[5,4-c]喹啉-2,4-二胺衍生物。本发明还涉及制备嘧啶并[5,4-c]喹啉-2,4-二胺衍生物的方法。
• Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof
  申请人：WISSNER Allan

  公开号：US20080293712A1

  公开（公告）日：2008-11-27

  The present invention relates to Benzo[c][2,7]naphthyridine Derivatives, compositions comprising an effective amount of a Benzo[c][2,7]naphthyridine Derivative, methods for treating or preventing a proliferative disorder or an autoimmune disease, comprising administering to a subject in need thereof an effective amount of a Benzo[c][2,7]naphthyridine Derivative, methods for modulating PDK-1 activity, PKA activity, Akt activity, S6K activity, or PKC activity, comprising administering to a subject in need thereof an effective amount of a Benzo[c][2,7]naphthyridine Derivative. The invention also relates to processes for preparing a Benzo[c][2,7]naphthyridine Derivative.

  本发明涉及苯并[c][2,7]萘啉衍生物，包含有效量苯并[c][2,7]萘啉衍生物的组合物，用于治疗或预防增殖性疾病或自身免疫疾病的方法，包括向需要治疗的受体内给予有效量的苯并[c][2,7]萘啉衍生物，用于调节PDK-1活性、PKA活性、Akt活性、S6K活性或PKC活性的方法，包括向需要治疗的受体内给予有效量的苯并[c][2,7]萘啉衍生物。本发明还涉及制备苯并[c][2,7]萘啉衍生物的过程。
• Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors
  申请人：Floyd Jr Brawner Middleton

  公开号：US20070299092A1

  公开（公告）日：2007-12-27

  The present invention provides for compounds with the general formula: A compound of formula (1) having the structure (1) wherein Z is a radical selected from the group (a), (b), or (c) as well as methods and compositions containing these compounds useful for treatment of diseases that are characterized, at least in part, by excessive, abnormal, or inappropriate angiogenesis. These disease states, include but are not limited to, cancer, diabetic retinopathy, macular degeneration and rheumatoid arthritis. These compounds inhibit angiogenesis by inhibiting a tyrosine kinase receptor enzyme, specifically KDR, and binding to the KDR in an irreversible manner.

  本发明提供了一般式为：具有结构式（1）的化合物，其中Z是从（a）、（b）或（c）组中选择的基团，以及包含这些化合物的方法和组合物，用于治疗至少部分特征为过度、异常或不适当血管生成的疾病。这些疾病状态包括但不限于癌症、糖尿病视网膜病变、黄斑变性和类风湿性关节炎。这些化合物通过抑制酪氨酸激酶受体酶，特别是KDR，并以不可逆的方式与KDR结合来抑制血管生成。
• RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Abraham Sunny

  公开号：US20110118245A1

  公开（公告）日：2011-05-19

  Compounds according to formula (I), compositions and methods are provided for modulating the activity of RAF kinases, including BRAF kinase and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder mediated by RAF kinases. Formula (I): or a pharmaceutically acceptable salt, solvate, clathrate of hydrate thereof, wherein X is O or S(O) t ; R a is O or S.

  提供了按照公式(I)的化合物、组合物和方法，用于调节RAF激酶的活性，包括BRAF激酶，并用于治疗、预防或缓解由RAF激酶介导的一种或多种疾病或障碍的症状。公式(I)：或其药学上可接受的盐、溶剂化合物、包合物或水合物，其中X为O或S(O)t；R为O或S。