3-吗啉基丙基 3,4,5-三甲氧基苯甲酸酯 | 60439-46-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-吗啉基丙基 3,4,5-三甲氧基苯甲酸酯
• 中文别名: 3-吗啉基丙基3,4,5-三甲氧基苯甲酸酯
• 英文名称: 3,4,5-trimethoxy-benzoic acid 3-morpholin-4-yl-propyl ester
• 英文别名: 3,4,5-trimethoxy-benzoic acid-(3-morpholino-propyl ester)；3,4,5-Trimethoxy-benzoesaeure-(3-morpholino-propylester)；3,4,5-Trimethoxybenzoesaeure-(3-morpholinopropyl)ester；Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester；3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate
• CAS: 60439-46-5
• 化学式: C₁₇H₂₅NO₆
• 分子量: 339.389
• InChiKey: VXOBLNCPAAJICO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-吗啉基丙基 3,4,5-三甲氧基苯甲酸酯
  参考文献：
  名称：

  Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2)

  摘要：

  As ENT inhibitors including dilazep have shown efficacy improving oHSV1 targeted oncolytic cancer therapy, a series of dilazep analogues was synthesized and biologically evaluated to examine both ENT1 and ENT2 inhibition. The central diamine core, alkyl chains, ester linkage and substituents on the phenyl ring were all varied. Compounds were screened against ENT1 and ENT2 using a radio-ligand cell-based assay. Dilazep and analogues with minor structural changes are potent and selective ENT1 inhibitors. No selective ENT2 inhibitors were found, although some analogues were more potent against ENT2 than the parent dilazep. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.026

文献信息

• Palazzo et al., Annali di Chimica, 1959, vol. 49, p. 853,855
  作者：Palazzo et al.

  DOI：——

  日期：——
• Supniewski et al., Dissertationes Pharmaceuticae, 1958, vol. 10, p. 191,193
  作者：Supniewski et al.

  DOI：——

  日期：——
• Di Paco; Tauro, Farmaco, Edizione Scientifica, 1958, vol. 13, p. 64,72, 73
  作者：Di Paco、Tauro

  DOI：——

  日期：——
• Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2)
  作者：Hilaire Playa、Timothy A. Lewis、Amal Ting、Byung-Chul Suh、Benito Muñoz、Robert Matuza、Brent J. Passer、Stuart L. Schreiber、John K. Buolamwini

  DOI：10.1016/j.bmcl.2014.10.026

  日期：2014.12

  As ENT inhibitors including dilazep have shown efficacy improving oHSV1 targeted oncolytic cancer therapy, a series of dilazep analogues was synthesized and biologically evaluated to examine both ENT1 and ENT2 inhibition. The central diamine core, alkyl chains, ester linkage and substituents on the phenyl ring were all varied. Compounds were screened against ENT1 and ENT2 using a radio-ligand cell-based assay. Dilazep and analogues with minor structural changes are potent and selective ENT1 inhibitors. No selective ENT2 inhibitors were found, although some analogues were more potent against ENT2 than the parent dilazep. (C) 2014 Elsevier Ltd. All rights reserved.