4-Ethoxy-3-methylbenzoesaeuremethylester | 93351-64-5

• 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-Ethoxy-3-methylbenzoesaeuremethylester
• 英文别名: 4-ethoxy-3-methyl-benzoic acid methyl ester；4-Aethoxy-3-methyl-benzoesaeure-methylester；Methyl 4-ethoxy-3-methylbenzoate
• CAS: 93351-64-5
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD27933470
• 分子量: 194.23
• InChiKey: CMIHQCTWUZWSNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Ethoxy-3-methylbenzoesaeuremethylester 在 肼 作用下， 以 甲醇 、 水 为溶剂， 以70%的产率得到4-Ethoxy-3-methylbenzohydrazide
  参考文献：
  名称：

  Triazole oxytocin antagonists: Identification of aryl ether replacements for a biaryl substituent

  摘要：

  Several potent aryl ether/triazole oxytocin antagonists are described. The lead compound in this series had significantly improved aqueous solubility over related systems containing a biaryl substituent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.066
• 作为产物：
  描述：

  3-甲基-4-羟基苯甲酸甲酯 、 碘乙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到4-Ethoxy-3-methylbenzoesaeuremethylester
  参考文献：
  名称：

  Triazole oxytocin antagonists: Identification of aryl ether replacements for a biaryl substituent

  摘要：

  Several potent aryl ether/triazole oxytocin antagonists are described. The lead compound in this series had significantly improved aqueous solubility over related systems containing a biaryl substituent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.066

文献信息

• WDR5-MLL1 INHIBITORS AND MODULATORS
  申请人：Vanderbilt University

  公开号：US20200055824A1

  公开（公告）日：2020-02-20

  Benzamides and picolinamides that are meta-substituted with imino-, guanidino-, or heterocycle-containing groups disrupt the WDR5-MLL1 protein-protein interaction, and have use in pharmaceutical compositions and in treating proliferative disorders and conditions in a subject, such as cancer.

  苯甲酰胺和吡啶甲酰胺，它们在间位被亚胺基、胍基或含杂环基团取代，会破坏WDR5-MLL1蛋白质间相互作用，并可用于制药组合物中，用于治疗受试者中的增殖性疾病和状况，如癌症。
• 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF
  申请人：Harada Hironori

  公开号：US20120178735A1

  公开（公告）日：2012-07-12

  Provided is a 2H-chromene compound or a derivative thereof which has an excellent S1P1 agonist action. The 2H-chromene compound or derivative is particularly useful for preventing and/or treating a disease induced by undesirable lymphocyte infiltration or a disease induced by abnormal proliferation or accumulation of cells.

  提供了一种2H-色烯化合物或其衍生物，具有优异的S1P1激动剂作用。该2H-色烯化合物或衍生物特别适用于预防和/或治疗由不良淋巴细胞浸润引起的疾病或由细胞异常增殖或堆积引起的疾病。
• WDR5-MLL1 inhibitors and modulators
  申请人：Vanderbilt University

  公开号：US10807959B2

  公开（公告）日：2020-10-20

  Benzamides and picolinamides that are meta-substituted with imino-, guanidino-, or heterocycle-containing groups disrupt the WDR5-MLL1 protein-protein interaction, and have use in pharmaceutical compositions and in treating proliferative disorders and conditions in a subject, such as cancer.

  与含亚氨基、胍基或杂环的基团进行元取代的苯甲酰胺类和吡啶酰胺类化合物会破坏 WDR5-MLL1 蛋白质与蛋白质之间的相互作用，因此可用于药物组合物和治疗受试者的增殖性疾病和病症，如癌症。
• [EN] SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS<br/>[FR] DERIVES DE TRIAZOLE SUBSTITUES UTILISES EN TANT QU'ANTAGONISTES DE L'OXYTOCINE
  申请人：PFIZER LTD

  公开号：WO2005082866A3

  公开（公告）日：2006-04-13
• Houben; Fischer, Chemische Berichte, 1931, vol. 64, p. 240,247, 2636, 2642
  作者：Houben、Fischer

  DOI：——

  日期：——