2-(4-ethylphenyl)-4,4-dimethyl-2-oxazoline | 79568-32-4

• 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: 2-(4-ethylphenyl)-4,4-dimethyl-2-oxazoline
• 英文别名: 2-(4-ethylphenyl)-4,4-dimethyloxazoline；2-(4-ethyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole；2-(4-Ethylphenyl)-4,5-dihydro-4,4-dimethyloxazole；2-(4-ethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 79568-32-4
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: BGYKEMFVTROZKA-UHFFFAOYSA-N

物化性质

• 沸点：
  292.3±19.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-ethylphenyl)-4,4-dimethyl-2-oxazoline 在 盐酸 、 正丁基锂 、 硼烷四氢呋喃络合物 、 水 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 60.5h， 生成 (+/-)-trans-2,3-methylenedioxy-11-ethyl-6a,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline hydrochloride
  参考文献：
  名称：

  Analogues of doxanthrine reveal differences between the dopamine D1 receptor binding properties of chromanoisoquinolines and hexahydrobenzo[a]phenanthridines

  摘要：

  Efforts to develop selective agonists for dopamine D-1-like receptors led to the discovery of dihydrexidine and doxanthrine, two bioisosteric [beta-phenyldopamine-type full agonist ligands that display selectivity and potency at D-1-like receptors. We report herein an improved methodology for the synthesis of substituted chromanoisoquinolines (doxanthrine derivatives) and the evaluation of several new compounds for their ability to bind to D-1- and D-2-like receptors. Identical pendant phenyl ring substitutions on the dihydrexidine and doxanthrine templates surprisingly led to different effects on D-1-like receptor binding, suggesting important differences between the interactions of these ligands with the D-1 receptor. We propose, based on the biological results and molecular modeling studies, that slight conformational differences between the tetralin and chroman-based compounds lead to a shift in the location of the pendant ring substituents within the receptor. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.039
• 作为产物：
  描述：

  对乙基苯甲酸 生成 2-(4-ethylphenyl)-4,4-dimethyl-2-oxazoline
  参考文献：
  名称：

  2,4-Dithi(oxo)-pyrimidin-5-yl compounds bearing a tricyclic substituent

  摘要：

  本发明涉及新的药物活性化合物，这些化合物是P2-嘌呤受体7-跨膜(TM)G-蛋白偶联受体拮抗剂，包含它们的组合物以及它们的制备方法。

  公开号：

  US06107297A1

文献信息

• Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：Hormann Eugene Robert

  公开号：US20060020146A1

  公开（公告）日：2006-01-26

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及用于核受体基于诱导基因表达系统的非甾体配体，以及一种调节外源基因表达的方法，其中包括一个包含：DNA结合结构域；配体结合结构域；转活化结构域；和配体的ecdysone受体复合物与包含外源基因和响应元件的DNA构建物接触；其中外源基因受响应元件控制，并且在配体存在的情况下DNA结合结构域与响应元件结合导致基因的激活或抑制。
• Novel spiro compounds
  申请人：——

  公开号：US20020188124A1

  公开（公告）日：2002-12-12

  Compounds of the general formula (I): 1 wherein Ar 1 represents optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V, and W each independently represent nitrogen atom or optionally substituted methine group, where at least two of them represent the said methine group; X represents methine or hydroxy substituted methine; Y represents an optionally substituted imino or oxygen atom are described and claimed. These novel spiro compounds are useful as neuropeptide Y receptor antagonists and as agents for the treatment of various kinds of cardiovascular disorders, central nervous system disorders, metabolic diseases and the like.

  通式(I)的化合物： 1 其中Ar 1 代表可选地取代的芳基或杂芳基； n代表0或1； T、U、V和W各自独立地代表氮原子或可选地取代的次甲基基团，其中至少有两个代表所述次甲基基团； X代表次甲基或羟基取代的次甲基； Y代表可选地取代的亚氨基或氧原子被描述和声称。这些新型的螺环化合物作为神经肽Y受体拮抗剂以及用于治疗各种心血管疾病、中枢神经系统疾病、代谢性疾病等的药物是有用的。
• Spiro compounds
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US06335345B1

  公开（公告）日：2002-01-01

  Spiro compounds of the general formula (I): wherein Ar1 represents an optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V and W each represent a nitrogen atom or an optionally substituted methine group, wherein at least two of which represent said methine group; X represents methine; Y represents an optionally substituted imino or oxygen atom. These novel spiro compounds exhibit neuropeptide Y receptor (NPY) antagonistic activities and are useful as agents for the treatment of various diseases related to NPY, for example, cardiovascular disorders, central nervous system disorders, metobolic diseases and the like.

  通式（I）的螺环化合物：其中Ar1代表可选择取代的芳基或杂环芳基；n代表0或1；T、U、V和W分别代表氮原子或可选择取代的甲基基团，其中至少两个代表所述的甲基基团；X代表甲基；Y代表可选择取代的亚胺基或氧原子。这些新型螺环化合物表现出神经肽Y受体（NPY）拮抗活性，并可用作治疗与NPY相关的各种疾病的药物，例如心血管疾病、中枢神经系统疾病、代谢性疾病等。
• NOVEL SPIRO COMPOUNDS
  申请人：——

  公开号：US20020052371A1

  公开（公告）日：2002-05-02

  Compounds of the general formula (I): 1 (wherein Ar 1 represents optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V and W represent independently nitrogen atom or optionally substituted methine group, where at least two of them represent the said methine group; X represents methine or nitrogen; Y represents optionally substituted imino or oxygen atom) exhibit NPY antagonistic activities and are useful as agents for the treatment of various diseases related to NPY, for example, cardiovascular disorders such as hypertension, nephropathy, heart disease, vasospasm, arteriosclerosis and the like, central nervous system disorders such as bulimia, depression, anxiety, seizure, epilepsy, dementia, pain, alcoholism, drug withdrawal and the like, metabolic diseases such as obesity, diabetes, hormone abnormality, hypercholesterolemia, hyperlipidemia and the like, sexual and reproductive dysfunction, gastro-intestinal disorder, respiratory disorder, inflammation or glaucoma, and the like.

  通式（I）化合物（其中Ar1代表可选取代的芳基或杂环芳基；n代表0或1；T、U、V和W独立地代表氮原子或可选取代的甲基基团，其中至少有两个代表所述甲基基团；X代表甲基或氮原子；Y代表可选取代的亚胺基或氧原子）表现出NPY拮抗活性，并且可用作治疗与NPY相关的各种疾病的药剂，例如心血管疾病，如高血压、肾病、心脏病、血管痉挛、动脉硬化等，中枢神经系统疾病，如暴食症、抑郁症、焦虑症、癫痫、痴呆、疼痛、酗酒、戒断等，代谢性疾病，如肥胖症、糖尿病、激素异常、高胆固醇血症、高脂血症等，性和生殖功能障碍、胃肠道疾病、呼吸系统疾病、炎症或青光眼等。
• BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX
  申请人：Hormann Eugene Robert

  公开号：US20080064741A1

  公开（公告）日：2008-03-13

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及用于核受体基础诱导基因表达系统的非类固醇配体，以及一种调节外源基因表达的方法，其中包括将一个包含：DNA结合域、配体结合域、转录激活域和配体的ecdysone受体复合物与一个包含：外源基因和响应元件的DNA构建物接触；其中，外源基因在响应元件的控制下，并且在配合剂存在下，DNA结合域与响应元件结合导致基因的激活或抑制。