2-methoxy-4-propoxy-benzaldehyde

• 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: 2-methoxy-4-propoxy-benzaldehyde
• 英文别名: 2-Methoxy-4-propyloxy-benzaldehyd；2-Methoxy-4-propoxy-benzaldehyd；4-Hydroxy-2-methoxybenzaldehyde, propyl ether；2-methoxy-4-propoxybenzaldehyde
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD02668072
• 分子量: 194.23
• InChiKey: RRAIWTBDDFEYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  5
• 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：

  海因 、 2-methoxy-4-propoxy-benzaldehyde 在 碳酸氢钠 、 C.I.酸性橙108 作用下， 以 乙醇 、 水 为溶剂， 以76.5%的产率得到(Z)-5-(2-methoxy-4-propoxybenzylidene)imidazolidine-2,4-dione
  参考文献：
  名称：

  Phenylmethylene hydantoins as prostate cancer invasion and migration inhibitors. CoMFA approach and QSAR analysis

  摘要：

  Prostrate cancer constitutes the second leading cause of cancer deaths in men in United States. In the process of discovery of new antiproliferative and anti-metastatic agents against prostate cancer, marine-derived phenylmethylene hydantoin (PMH) derivatives were identified with activity level range between 50 and 200 mu M. 3D-QSAR CoMFA model was used in virtual screening of commercially available derivatives of PMH. PMH derivatives with manifold increase in anti-migratory and anti-invasive activities were discovered using wound-healing and Cultrex invasion assays. Benzene ring replacement with other heterocyclic rings did not significantly improve the methylene hydantoins activities. Multivariate analysis performed on the whole series of methylene hydantoins, which further supported the findings of CoMFA model. Predictive QSAR model with conventional r(2) and cross-validated coefficient (q(2)) values up to 0.982 and 0.803 were established. The molecular volume (MV) and the log P were identified as critical parameters for methylene hydatoins migration inhibitory activity. PMH is a novel anti-metastatic lead class with potential therapeutic activity against prostate cancer. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.066
• 作为产物：
  描述：

  盐酸 、 乙醚 、 氢氰酸 、 1-甲氧基-3-丙氧基苯 、 (E)-3-Ureido-but-2-enoic acid ethyl ester 生成 2-methoxy-4-propoxy-benzaldehyde 、 4-methoxy-2-propoxy-benzaldehyde
  参考文献：
  名称：

  Sonn; Patschke, Chemische Berichte, 1925, vol. 58, p. 1702

  摘要：

  DOI：

文献信息

• EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS
  申请人：Joint Stock Company "Biocad"

  公开号：EP3693365A1

  公开（公告）日：2020-08-12

  The present invention relates to novel compounds of formula I, or pharmaceutically acceptable salts, solvates or stereoisomers thereof, also to a pharmaceutical composition, a method for inhibiting biological activity of epidermal growth factor receptor (EGFR), a method for treating diseases or disorders mediated by the activation of EGFR and use of the present compounds or the present pharmaceutical composition for the treatment of a disease or disorder mediated by the activation of EGFR.

  本发明涉及式 I 的新型化合物、 或其药学上可接受的盐、溶解物或立体异构体，还涉及一种药物组合物、一种抑制表皮生长因子受体（EGFR）生物活性的方法、一种治疗由 EGFR 活化介导的疾病或紊乱的方法，以及使用本发明化合物或本发明药物组合物治疗由 EGFR 活化介导的疾病或紊乱。
• 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION-DERIVATE, VERFAHREN ZUR HERSTELLUNG UND VERWENDUNG DERSELBEN
  申请人：TriOptoTec GmbH

  公开号：EP3135110B1

  公开（公告）日：2019-07-10
• Epidermal growth factor receptor inhibitors
  申请人：JOINT STOCK COMPANY "BIOCAD"

  公开号：US20200339544A1

  公开（公告）日：2020-10-29

  The present invention relates to novel compounds of formula I, or pharmaceutically acceptable salts, solvates or stereoisomers thereof, also to a pharmaceutical composition, a method for inhibiting biological activity of epidermal growth factor receptor (EGFR), a method for treating diseases or disorders mediated by the activation of EGFR and use of the present compounds or the present pharmaceutical composition for the treatment of a disease or disorder mediated by the activation of EGFR.
• [EN] EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR DE CROISSANCE ÉPIDERMIQUE<br/>[RU] ИНГИБИТОРЫ РЕЦЕПТОРА ЭПИДЕРМАЛЬНОГО ФАКТОРА РОСТА
  申请人：BIOCAD JOINT STOCK CO

  公开号：WO2019070167A1

  公开（公告）日：2019-04-11

  Настоящая группа изобретений относится к новым соединениям формулы (I), их солям, сольватам или стереоизомерам, а также к фармацевтической композиции, способу ингибирования биологической активности рецептора эпидермального фактора роста (EFGR), способу лечения заболеваний или нарушений, опосредованных активностью EFGR, и применении заявляемых соединений или указанной композиции для лечения заболевания или нарушения, опосредованного активностью EFGR.
• Phenylmethylene hydantoins as prostate cancer invasion and migration inhibitors. CoMFA approach and QSAR analysis
  作者：Mohammad A. Khanfar、Khalid A. El Sayed

  DOI：10.1016/j.ejmech.2010.08.066

  日期：2010.11

  Prostrate cancer constitutes the second leading cause of cancer deaths in men in United States. In the process of discovery of new antiproliferative and anti-metastatic agents against prostate cancer, marine-derived phenylmethylene hydantoin (PMH) derivatives were identified with activity level range between 50 and 200 mu M. 3D-QSAR CoMFA model was used in virtual screening of commercially available derivatives of PMH. PMH derivatives with manifold increase in anti-migratory and anti-invasive activities were discovered using wound-healing and Cultrex invasion assays. Benzene ring replacement with other heterocyclic rings did not significantly improve the methylene hydantoins activities. Multivariate analysis performed on the whole series of methylene hydantoins, which further supported the findings of CoMFA model. Predictive QSAR model with conventional r(2) and cross-validated coefficient (q(2)) values up to 0.982 and 0.803 were established. The molecular volume (MV) and the log P were identified as critical parameters for methylene hydatoins migration inhibitory activity. PMH is a novel anti-metastatic lead class with potential therapeutic activity against prostate cancer. (C) 2010 Elsevier Masson SAS. All rights reserved.