tert-butyldimethyl(2-(3-nitrophenoxy)ethoxy)silane

• 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: tert-butyldimethyl(2-(3-nitrophenoxy)ethoxy)silane
• 英文别名: 1-(2-t-Butyldimethylsilyloxyethoxy)-3-nitrobenzene；tert-butyl-dimethyl-[2-(3-nitrophenoxy)ethoxy]silane
• 化学式: C₁₄H₂₃NO₄Si
• 分子量: 297.426
• InChiKey: YOSSXTCWLFYKBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyldimethyl(2-(3-nitrophenoxy)ethoxy)silane 在 钯 甲烷 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以to yield the product as a yellow oil (6.707 g, 94%)的产率得到3-(2-((tert-butyldimethylsilyl)oxy)ethoxy)aniline
  参考文献：
  名称：

  Heterocyclic compounds possessing 5HT.sub.2C receptor antagonist activity

  摘要：

  该发明涉及具有药理活性的杂环化合物家族，特别是具有5HT.sub.2C受体拮抗活性的化合物，其制备过程，包含它们的组合物以及它们在治疗中枢神经系统疾病中的应用。

  公开号：

  US05972937A1
• 作为产物：
  描述：

  间硝基苯酚 、 叔丁基二甲基羟乙氧基硅烷 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 tert-butyldimethyl(2-(3-nitrophenoxy)ethoxy)silane
  参考文献：
  名称：

  Structure−Activity Relationships in the Binding of Chemically Derivatized CD4 to gp120 from Human Immunodeficiency Virus

  摘要：

  The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp 120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp 120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp 120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.

  DOI：

  10.1021/jm070564e

文献信息

• Nuclear Medicine Diagnostic Imaging Agent
  申请人：Kyoto University

  公开号：US20170000912A1

  公开（公告）日：2017-01-05

  Provided is a radioactive labeled compound capable of detecting a secondary mutation of an epidermal growth factor receptor, where the compound is represented by Formula (1) or a pharmaceutically acceptable salt thereof, where Y, L 1 , R 1 and R 2 are as defined.

  提供了一种放射性标记化合物，能够检测表皮生长因子受体的二次突变，其中该化合物由式（1）或其药用可接受盐代表，其中Y、L1、R1和R2如定义。
• [EN] INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DU GÈNE 1 INDUIT PAR L'INTERLEUKINE 4 (IL4) ET LEURS MÉTHODES D'UTILISATION
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2022086892A1

  公开（公告）日：2022-04-28

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其药物制剂。本发明还涉及使用所述新型杂环化合物治疗或预防癌症的方法。