methyl 3-(2-ethoxyethoxy)benzoate | 1355460-16-0

• 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: methyl 3-(2-ethoxyethoxy)benzoate
• 英文别名: Methyl 3-{2-[2-ethoxy]ethoxy}benzoate
• CAS: 1355460-16-0
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: XCKNIFZHVNVKOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 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：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-(2-ethoxyethoxy)benzoate 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 3-(2-ethoxyethoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
  参考文献：
  名称：

  Bivalent molecular probes for dopamine D2-like receptors

  摘要：

  Merging two arylamidoalkyl substituted phenylpiperazines as prototypical recognition elements for dopamine D-2-like receptors by oligoethylene glycol linkers led to a series of bivalent ligands. These dimers were investigated in comparison to their monomeric analogues for their dopamine D-2long, D-2short, D-3 and D-4 receptor binding. Radioligand binding experiments revealed strong bivalent effects for some para-substituted benzamide derivatives. For the D-3 subtype, the target compounds 32, 34 and 36 showed an up to 70-fold increase of affinity and a substantial enhancement of subtype selectivity when compared to the monovalent analogue 24. Analysis of the binding curves displayed Hill slopes very close to one indicating that the bivalent ligands displace 1 equiv of radioligand. Obviously, the two pharmacophores occupy an orthosteric and an allosteric binding site rather than adopting a receptor-bridging binding mode. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.063
• 作为产物：
  描述：

  2-溴乙基乙基醚 、 3-羟基苯甲酸甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以89%的产率得到methyl 3-(2-ethoxyethoxy)benzoate
  参考文献：
  名称：

  Bivalent molecular probes for dopamine D2-like receptors

  摘要：

  Merging two arylamidoalkyl substituted phenylpiperazines as prototypical recognition elements for dopamine D-2-like receptors by oligoethylene glycol linkers led to a series of bivalent ligands. These dimers were investigated in comparison to their monomeric analogues for their dopamine D-2long, D-2short, D-3 and D-4 receptor binding. Radioligand binding experiments revealed strong bivalent effects for some para-substituted benzamide derivatives. For the D-3 subtype, the target compounds 32, 34 and 36 showed an up to 70-fold increase of affinity and a substantial enhancement of subtype selectivity when compared to the monovalent analogue 24. Analysis of the binding curves displayed Hill slopes very close to one indicating that the bivalent ligands displace 1 equiv of radioligand. Obviously, the two pharmacophores occupy an orthosteric and an allosteric binding site rather than adopting a receptor-bridging binding mode. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.063

文献信息

• [EN] MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE<br/>[FR] MODULATEURS DE L'HÉMOGLOBINE POUR LE TRAITEMENT DE LA DRÉPANOCYTOSE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2020072377A1

  公开（公告）日：2020-04-09

  The present disclosure relates to compounds of the general formula (I) and pharmaceutical compositions containing them. The compounds are suitable as modulators of hemoglobin and thus useful in treating disorders mediated by hemoglobin such as sickle cell disease.

  本公开涉及一般式（I）化合物及含有它们的药物组合物。这些化合物适用作血红蛋白调节剂，因此在治疗由血红蛋白介导的疾病如镰状细胞病中有用。
• HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE
  申请人：Belousov Yevgeniy

  公开号：US20110151457A1

  公开（公告）日：2011-06-23

  The present invention relates to a hyperthermostable endonuclease IV substrate probe to be used in nucleic acid assay methods which can be carried out using hyperthermostable enzymes, including detection of target nucleic acids, and detection of nucleic acid polymorphism.

  本发明涉及一种高温稳定的内切酶IV底物探针，用于核酸检测方法，该方法可以使用高温稳定酶进行，包括检测目标核酸和检测核酸多态性。
• HYPERTHERMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE
  申请人：Belousov Yevgeniy

  公开号：US20130022976A1

  公开（公告）日：2013-01-24

  The present invention relates to a hyperthermostable endonuclease IV substrate probe to be used in nucleic acid assay methods which can be carried out using hyperthermostable enzymes, including detection of target nucleic acids, and detection of nucleic acid polymorphism.

  本发明涉及一种高温稳定的内切酶IV底物探针，用于核酸检测方法中，可以使用高温稳定酶进行检测目标核酸和检测核酸多态性。
• MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE
  申请人：Global Blood Therapeutics, Inc.

  公开号：EP3860975A1

  公开（公告）日：2021-08-11
• [EN] HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE<br/>[FR] SONDE DE SUBSTRAT DE L'ENDONUCLÉASE IV HYPERTHERMOSTABLE
  申请人：ELITECH HOLDING BV

  公开号：WO2011087707A1

  公开（公告）日：2011-07-21

  The present invention relates to a hyperthermostable endonuclease IV substrate probe to be used in nucleic acid assay methods which can be carried out using hyperthermostable enzymes, including detection of target nucleic acids, and detection of nucleic acid polymorphism.