1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea | 843660-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea
• 英文别名: 1-[3-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]propyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea
• CAS: 843660-59-3
• 化学式: C₃₁H₃₅N₃O₈S
• 分子量: 609.7
• InChiKey: QTULIVJLRVDHOK-UHFFFAOYSA-N

物化性质

• 沸点：
  825.9±75.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  186
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  叶酸杂质15 、 1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea 在 吡啶 作用下， 反应 24.0h， 以21%的产率得到
  参考文献：
  名称：

  使用叶酸作为归巢装置的靶向单壁碳纳米管介导的 Pt(IV) 前药递送

  摘要：

  大多数低分子量铂类抗癌药物的血液循环时间较短，这反映在它们减少的肿瘤摄取和细胞内 DNA 结合上。式c、c、t-[Pt(NH 3) 2Cl 2(O 2CCH 2CH 2CO 2H)(O 2CCH 2CH 2CONH-PEG-FA)] ( 1) 的铂(IV)络合物，包含叶酸衍生物( FA）在轴向位置，被制备和表征。叶酸提供了一种靶向高度过度表达叶酸受体 (FR) 的人类细胞的方法。化合物 1 通过多个酰胺键连接到胺官能化的单壁碳纳米管 (SWNT-PL-PEG-NH 2) 的表面，将 SWNT 作为铂弹头的“长舟输送系统”，将其运送到肿瘤细胞并在细胞内将 Pt(IV) 还原为 Pt(II) 时释放顺铂。SWNT tethered 1 选择性破坏FR(+) vs FR(-) 细胞的能力表明其能够靶向在其表面过度表达FR 的肿瘤细胞。SWNTs 通过内吞作用将含叶酸的 Pt(IV) 货物输送到 FR(+)

  DOI：

  10.1021/ja803036e
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以82%的产率得到1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea
  参考文献：
  名称：

  使用叶酸作为归巢装置的靶向单壁碳纳米管介导的 Pt(IV) 前药递送

  摘要：

  大多数低分子量铂类抗癌药物的血液循环时间较短，这反映在它们减少的肿瘤摄取和细胞内 DNA 结合上。式c、c、t-[Pt(NH 3) 2Cl 2(O 2CCH 2CH 2CO 2H)(O 2CCH 2CH 2CONH-PEG-FA)] ( 1) 的铂(IV)络合物，包含叶酸衍生物( FA）在轴向位置，被制备和表征。叶酸提供了一种靶向高度过度表达叶酸受体 (FR) 的人类细胞的方法。化合物 1 通过多个酰胺键连接到胺官能化的单壁碳纳米管 (SWNT-PL-PEG-NH 2) 的表面，将 SWNT 作为铂弹头的“长舟输送系统”，将其运送到肿瘤细胞并在细胞内将 Pt(IV) 还原为 Pt(II) 时释放顺铂。SWNT tethered 1 选择性破坏FR(+) vs FR(-) 细胞的能力表明其能够靶向在其表面过度表达FR 的肿瘤细胞。SWNTs 通过内吞作用将含叶酸的 Pt(IV) 货物输送到 FR(+)

  DOI：

  10.1021/ja803036e

文献信息

• [EN] BENZIMIDAZOLES FOR THE TREATMENT OF CANCER<br/>[FR] BENZIMIDAZOLES POUR LE TRAITEMENT D'UN CANCER
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2014027053A1

  公开（公告）日：2014-02-20

  The present invention relates to novel substituted benzimidazoles and stereoisomeric forms, prodrugs, solvates, hydrates and/or pharmaceutically acceptable salts of these compounds as well as pharmaceutical compositions containing at least one of these substituted benzimidazoles together with pharmaceutically acceptable carrier, excipient and/or diluents. Said novel substituted benzimidazoles binding to the prenyl binding pocket of PDEδ have been identified as useful for the prophylaxis and treatment of cancer by the inhibition of the binding of PDEδ to K-Ras and of oncogenic Ras signalling in cells by altering its localization leading to cell death or inhibition of proliferation.

  本发明涉及新型取代苯并咪唑和立体异构体形式，以及这些化合物的前药、溶剂化合物、水合物和/或药学上可接受的盐，以及含有至少一种这些取代苯并咪唑的药物组合物，与药学上可接受的载体、赋形剂和/或稀释剂一起。已经确定这些新型取代苯并咪唑结合到PDEδ的藤黄素结合口袋，对于通过抑制PDEδ与K-Ras的结合以及通过改变其定位导致细胞死亡或抑制增殖而对癌症的预防和治疗是有用的。
• [EN] NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES<br/>[FR] MOLÉCULES HÉTÉROBIVALENTES NON PEPTIDIQUES PERMETTANT LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018134731A1

  公开（公告）日：2018-07-26

  The present invention relates to non peptidic, heterobivalent molecules (HBM) that are able to simultaneously bind a surface target protein as well as an endogenous or exogenous human antibody protein and induce immune effector function. More specifically, the present invention relates to agents capable of binding to a chemokine receptor and inducing the depletion of chemokine receptor positive subsets of pathogenic cells in a subject for use in the treatment and/or prevention of cancer, inflammatory, autoimmune and allergic disease.

  本发明涉及能够同时结合表面靶蛋白和内源或外源人类抗体蛋白并诱导免疫效应功能的非肽类、异二价分子（HBM）。更具体地，本发明涉及能够结合趋化因子受体并诱导受体阳性病原细胞亚群在受试者中的减少的药剂，用于治疗和/或预防癌症、炎症、自身免疫和过敏性疾病。
• [EN] BAX ACTIVATORS AND USES THEREOF IN CANCER THERAPY<br/>[FR] ACTIVATEURS DE BAX ET LEURS UTILISATIONS DANS LA THÉRAPIE DU CANCER
  申请人：ALBERT EINSTEIN COLLEGE MEDICINE INC

  公开号：WO2018222473A1

  公开（公告）日：2018-12-06

  Activators of BAX and their uses in cancer therapy are disclosed.

  BAX的激活剂及其在癌症治疗中的用途被揭示。
• Cyclic RGD Functionalized Gold Nanoparticles for Tumor Targeting
  作者：Daniela Arosio、Leonardo Manzoni、Elena M. V. Araldi、Carlo Scolastico

  DOI：10.1021/bc100448r

  日期：2011.4.20

  Integrin alpha(v)beta(3) is an adhesion molecule involved in physiological and pathological angiogenesis as well as. tumor invasion and metastasis. Therefore, it is considered an important target for molecular imaging and delivery of therapeutics for cancer, and there is a strong interest in developing novel agents interacting with this protein. Nevertheless, the interaction of individual ligands is often still weak for efficient tumor targeting, and many research groups have synthesized multivalent displays in order to overcome this problem. Gold nanoparticles can be considered a smart platform for polyvalent presentation on account of their globular shape, tunable size, facile surface chemistry, and biocompatibility. Moreover, their unique physical properties render gold nanoparticles ideal candidates for tumor diagnosis and therapy. Here, we report the synthesis. and characterization Of gold nanoparticles functionalized with cRGD integrin ligand and their employment for targeting human cancer cells expressing alpha(v)beta(3) integrin.
• NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US20190336489A1

  公开（公告）日：2019-11-07

  The present invention relates to non peptidic, heterobivalent molecules (HBM) that are able to simultaneously bind a surface target protein as well as an endogenous or exogenous human antibody protein and induce immune effector function. More specifically, the present invention relates to agents capable of binding to a chemokine receptor and inducing the depletion of chemokine receptor positive subsets of pathogenic cells in a subject for use in the treatment and/or prevention of cancer, inflammatory, autoimmune and allergic disease.