4-(3,5-dimethylphenoxy)butanoic acid | 57932-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3,5-dimethylphenoxy)butanoic acid
• 英文别名: 3,5-dimethylphenoxybutanoic acid
• CAS: 57932-18-0
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: IOZUQIUNWVMZDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3,5-dimethylphenoxy)butanoic acid 以75%的产率得到
  参考文献：
  名称：

  BADILESCU I. I., REV. ROUM. CHIM. , 1975, 20, NO 6, 761-774

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(3,5-二甲基苯氧基)丁酸乙酯 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以82%的产率得到4-(3,5-dimethylphenoxy)butanoic acid
  参考文献：
  名称：

  Identification of 5-Substituted 2-Acylaminothiazoles That Activate Tat-Mediated Transcription in HIV-1 Latency Models

  摘要：

  The persistent reservoir of cells latently infected with human immunodeficiency virus (HIV)-integrated proviral DNA necessitates lifelong suppressive antiretroviral therapy (ART). Epigenetic targeted compounds have shown promise as potential latency-reversing agents; however, these drugs have undesirable toxicity and lack specificity for HIV. We utilized a novel HEK293-derived FlpIn dual-reporter cell line, which quantifies specific HIV provirus reactivation (LTR promoter) relative to nonspecific host cell gene expression (CMV promoter), to identify the 5-substituted 2-acylaminothiazole hit class. Here, we describe the optimization of the hit class, defining the functionality necessary for HIV gene activation and for improving in vitro metabolism and solubility. The optimized compounds displayed enhanced HIV gene expression in HEK293 and Jurkat 10.6 latency cellular models and increased unspliced HIV RNA in resting CD4+ T cells isolated from HIV-infected individuals on ART, demonstrating the potential of the 2-acylaminothiazole class as latency-reversing agents.

  DOI：

  10.1021/acs.jmedchem.9b00462

文献信息

• SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT
  申请人：——

  公开号：US20040208823A1

  公开（公告）日：2004-10-21

  The present invention describes a method of concurrent imaging in a mammal comprising: a) administering to said mammal a vitronectin receptor targeted imaging agent and a perfusion imaging agent; and b) concurrently detecting the vitronectin receptor targeted imaging agent bound at the vitronectin receptor and the perfusion imaging agent; and c) forming an image from the detection of said vitronectin targeted imaging agent and said perfusion imaging agent.

  本发明描述了一种哺乳动物的并行成像方法，包括：a)向该哺乳动物注射一个定向于血管紧张素受体的成像剂和一个灌注成像剂；并b)同时检测定向于血管紧张素受体的成像剂在血管紧张素受体上的结合和灌注成像剂；并c)从检测到的血管紧张素受体定向成像剂和灌注成像剂形成图像。
• Vitronectin receptor antagonist pharmaceuticals
  申请人：Rajopadhye Milind

  公开号：US20050154185A1

  公开（公告）日：2005-07-14

  The present invention describes novel compounds of the formula: (Q) d -L n -C h , useful for the diagnosis and treatment of cancer, methods of imaging tumors in a patient, and methods of treating cancer in a patient. The present invention also provides novel compounds useful for monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature. The present invention also provides novel compounds useful for imaging atherosclerosis, restenosis, cardiac ischemia, and myocardial reperfusion injury. The present invention also provides novel compounds useful for the treatment of rheumatoid arthritis. The pharmaceuticals are comprised of a targeting moiety that binds to a receptor that is upregulated during angiogenesis, an optional linking group, and a therapeutically effective radioisotope or diagnostically effective imageable moiety. The imageable moiety is a gamma ray or positron emitting radioisotope, a magnetic resonance imaging contrast agent, an X-ray contrast agent, or an ultrasound contrast agent.

  本发明描述了新型化合物的公式：（Q）d-Ln-Ch，用于癌症的诊断和治疗，病人肿瘤成像方法以及病人癌症治疗方法。本发明还提供了新型化合物，用于监测治疗性血管生成和新血管生成的破坏。本发明还提供了新型化合物，用于成像动脉粥样硬化、再狭窄、心肌缺血和心肌再灌注损伤。本发明还提供了新型化合物，用于类风湿性关节炎的治疗。药物由结合到在血管生成期间上调的受体的靶向基团，可选的连接基团和治疗有效的放射性同位素或诊断有效的可成像基团组成。可成像基团是伽玛射线或正电子发射放射性同位素、磁共振成像对比剂、X射线对比剂或超声对比剂。
• LINKERS FOR ANCHORING TARGETING LIGANDS
  申请人：McGhee William D.

  公开号：US20080305037A1

  公开（公告）日：2008-12-11

  An improved linker which lacks chiral centers between a hydrophobic anchor for coupling to lipid-based particles and a targeting agent has suitable hydrophobic/hydrophilic properties for use in vivo.

  一种改进的连接剂，其在疏水锚与靶向剂之间缺乏手性中心，适用于体内使用，具有适当的疏水/亲水性质，用于与基于脂质的颗粒耦合。
• Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent
  申请人：——

  公开号：US20030103898A1

  公开（公告）日：2003-06-05

  The present invention describes a method of concurrent imaging in a mammal comprising: a) administering to said mammal a vitronectin receptor targeted imaging agent and a perfusion imaging agent; and b) concurrently detecting the vitronectin receptor targeted imaging agent bound at the vitronectin receptor and the perfusion imaging agent; and c) forming an image from the detection of said vitronectin targeted imaging agent and said perfusion imaging agent.

  本发明描述了一种哺乳动物同时成像的方法，包括：a）向该哺乳动物注射一个靶向vitronectin受体的成像剂和一个灌注成像剂；并b）同时检测vitronectin受体靶向成像剂与vitronectin受体结合以及灌注成像剂；并c）从检测到的vitronectin靶向成像剂和灌注成像剂形成图像。
• Stable radiopharmaceutical compositions and methods for preparation thereof
  申请人：——

  公开号：US20020122768A1

  公开（公告）日：2002-09-05

  The present invention provides stable radiopharmaceutical compositions including a therapeutic radionuclide and an effective stabilizing amount of an aromatic stabilizer (e.g., a polyhydroxylated aromatic compound, an aromatic amine, or a hydroxylated aromatic amine), alone or in combination with other antioxidants or stabilizers, to inhibit radiolytic degradation of radiopharmaceuticals. The present invention also provides improved radiopharmaceutical formulations by the use of an aromatic stabilizing agent (e.g., a polyhydroxylated aromatic compound, an aromatic amines, or a hydroxylated aromatic amine), and/or low temperature storage. The present invention also provides processes for making stable radiopharmaceutical compositions. The present invention also provides the use of the pharmaceutical compositions in medical therapy and/or medical diagnosis.

  本发明提供了稳定的放射性药物组合物，包括治疗性放射性核素和有效稳定剂量的芳香稳定剂（例如，多羟基芳香化合物、芳香胺或羟基芳香胺），单独或与其他抗氧化剂或稳定剂组合使用，以抑制放射性降解。本发明还通过使用芳香稳定剂（例如，多羟基芳香化合物、芳香胺或羟基芳香胺）和/或低温储存来提供改进的放射性药物配方。本发明还提供制备稳定的放射性药物组合物的方法。本发明还提供在医疗治疗和/或医疗诊断中使用药物组合物的用途。