9-{3-Azidomethyl-4-[(4-methoxy-phenyl)-diphenyl-methoxy]-butyl}-2-{[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-1,9-dihydro-purin-6-one | 693260-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 9-{3-Azidomethyl-4-[(4-methoxy-phenyl)-diphenyl-methoxy]-butyl}-2-{[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-1,9-dihydro-purin-6-one
• CAS: 693260-23-0
• 化学式: C₅₀H₄₆N₈O₄
• 分子量: 822.966
• InChiKey: FPTMQKNCURHVCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.87
• 重原子数：
  62.0
• 可旋转键数：
  18.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  152.05
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  9-{3-Azidomethyl-4-[(4-methoxy-phenyl)-diphenyl-methoxy]-butyl}-2-{[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-1,9-dihydro-purin-6-one 在 盐酸 、 三乙基硅烷 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 24.0h， 生成 N-(4-(2-amino- 6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)butyl)-2-(1,4,8,11-tetraazacyclotetradecan-1-yl)acetamide
  参考文献：
  名称：

  RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR INFECTIOUS DISEASE DIAGNOSIS AND THERAPY

  摘要：

  本发明提供了用于靶向性传染病诊断和治疗的治疗性放射性药物组合物和方法。治疗性放射性药物组合物可能包括核苷类似物、螯合剂和放射性核素标记的结合物。

  公开号：

  US20220305146A1
• 作为产物：
  描述：

  4-甲氧基三苯基氯甲烷 在 吡啶 、 4-二甲氨基吡啶 、 sodium azide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 9-{3-Azidomethyl-4-[(4-methoxy-phenyl)-diphenyl-methoxy]-butyl}-2-{[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-1,9-dihydro-purin-6-one
  参考文献：
  名称：

  RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR INFECTIOUS DISEASE DIAGNOSIS AND THERAPY

  摘要：

  本发明提供了用于靶向性传染病诊断和治疗的治疗性放射性药物组合物和方法。治疗性放射性药物组合物可能包括核苷类似物、螯合剂和放射性核素标记的结合物。

  公开号：

  US20220305146A1

文献信息

• Ethylenedicysteine (EC)-drug conjugates, compositions and methods for tissue specific disease imaging
  申请人：Board of Regents, The University of Texas System

  公开号：US20040166058A1

  公开（公告）日：2004-08-26

  The invention provides, in a general sense, a new labeling strategy employing compounds that are are N 2 S 2 chelates conjugated to a targeting ligand, wherein the targeting ligand is a disease cell cycle targeting compound, a tumor angiogenesis targeting ligand, a tumor apoptosis targeting ligand, a disease receptor targeting ligand, amifostine, angiostatin, monoclonal antibody C225, monoclonal antibody CD31, monoclonal antibody CD40, capecitabine, COX-2, deoxycytidine, fullerene, herceptin, human serum albumin, lactose, leuteinizing hormone, pyridoxal, quinazoline, thalidomide, transferrin, or trimethyl lysine. The present invention also pertains to kits employing the compounds of interest, and methods of assessing the pharmacology of an agent of interest using the present compounds.

  该发明提供了一种新的标记策略，采用将N2S2螯合物与靶向配体结合的化合物，其中靶向配体是疾病细胞周期靶向化合物、肿瘤血管生成靶向配体、肿瘤凋亡靶向配体、疾病受体靶向配体、氨基磷酸酯、抗血管生成素、单克隆抗体C225、单克隆抗体CD31、单克隆抗体CD40、卡培他滨、COX-2、脱氧胞苷、富勒烯、赫塞汀、人血清白蛋白、乳糖、黄体生成激素、吡ridoxal、喹唑啉、沙利度胺、转铁蛋白或三甲基赖氨酸。本发明还涉及使用感兴趣的化合物的试剂盒，以及利用本发明化合物评估感兴趣药剂的药理学方法。
• N2S2 chelate-targeting ligand conjugates
  申请人：Yang J. David

  公开号：US20050129619A1

  公开（公告）日：2005-06-16

  The invention provides, in a general sense, a new labeling strategy employing compounds that are are N 2 S 2 chelates conjugated to a targeting ligand, wherein the targeting ligand is a disease cell cycle targeting compound, a tumor angiogenesis targeting ligand, a tumor apoptosis targeting ligand, a disease receptor targeting ligand, amifostine, angiostatin, monoclonal antibody C225, monoclonal antibody CD31, monoclonal antibody CD40, capecitabine, a COX-2 inhibitor, deoxycytidine, fullerene, herceptin, human serum albumin, lactose, leuteinizing hormone, pyridoxal, quinazoline, thalidomide, transferrin, or trimethyl lysine. The present invention also pertains to kits employing the compounds of interest, and methods of assessing the pharmacology of an agent of interest using the present compounds.

  该发明提供了一种新的标记策略，使用N2S2螯合物与靶向配体结合，其中靶向配体是疾病细胞周期靶向化合物、肿瘤血管生成靶向配体、肿瘤凋亡靶向配体、疾病受体靶向配体、氨磷汀、血管生成抑制素、单克隆抗体C225、单克隆抗体CD31、单克隆抗体CD40、卡培他滨、COX-2抑制剂、脱氧胞苷、富勒烯、赫塞汀、人血清白蛋白、乳糖、黄体生成激素、吡哆醛、喹唑啉、沙利度胺、转铁蛋白或三甲基赖氨酸。本发明还涉及使用感兴趣的化合物的试剂盒，以及使用本发明化合物评估感兴趣药物的药理学方法。
• 99mTc-EC-Guanine: Synthesis, Biodistribution, and Tumor Imaging in Animals
  作者：David J. Yang、Kaoru Ozaki、Chang-Sok Oh、Ali Azhdarinia、Thomas Yang、Megumi Ito、Allison Greenwell、Jerry Bryant、Saady Kohanim、Vincenzo K. Wong、E. Edmund Kim

  DOI：10.1007/s11095-005-6157-8

  日期：2005.9

  DNA markers are useful in assessing cell proliferation. The purpose of this study was to synthesize 99mTc-ethylenedicysteine-guanine (EC-Guan) for evaluation of cell proliferation. Tumor cells were incubated with 99mTc-EC-Guan for cell cycle analysis. Prostate tumor cells that were overexpressing the HSV thymidine kinase gene, or various tumor cells were incubated with 99mTc-EC-Guan at 0.5–2 h. Thymidine incorporation assays were performed in lung cancer cells incubated with EC-Guan at 0.1–1 mg/well. Tissue distribution, autoradiography, and planar scintigraphy of 99mTc-EC-Guan and 99mTc-EC (control) were determined in tumor-bearing rodents at 0.5–4 h. Cell culture assays indicated that EC-Guan was incorporated in DNA, and there was no significant uptake difference between HSVTK overexpressed and normal groups. Biodistribution and scintigraphic imaging studies of 99mTc-EC-Guan showed increased tumor/tissue count density ratios as a function of time. Our results indicate that 99mTc-EC-Guan may be useful as a tumor proliferation imaging agent.

  DNA 标记有助于评估细胞增殖。本研究的目的是合成用于评估细胞增殖的 99m锝-乙二半胱氨酸鸟嘌呤（EC-Guan）。肿瘤细胞与 99mTc-EC-Guan 一起孵育，进行细胞周期分析。将过表达 HSV 胸苷激酶基因的前列腺肿瘤细胞或各种肿瘤细胞与 99mTc-EC-Guan 培养 0.5-2 h 。用 0.1-1 mg/well 浓度的 EC-Guan 培养肺癌细胞，进行胸苷掺入试验。在 0.5-4 h 时，测定了肿瘤啮齿动物体内 99mTc-EC-Guan 和 99mTc-EC （对照组）的组织分布、自显影和平面闪烁成像。细胞培养试验表明，EC-Guan与DNA结合，HSVTK过表达组与正常组之间没有明显的摄取差异。99mTc-EC-Guan 的生物分布和闪烁成像研究显示，肿瘤/组织计数密度比随时间的变化而增加。我们的研究结果表明，99m锝-EC-Guan 可作为一种肿瘤增殖成像剂。
• [EN] METAL RADIOLABELED PET IMAGING AGENTS<br/>[FR] AGENTS D'IMAGERIE TEP RADIOMARQUES METALLIQUES
  申请人：UNIV TEXAS

  公开号：WO2005087275A3

  公开（公告）日：2006-06-08