ISO-1 | 851705-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: ISO-1
• 英文别名: N-(4-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)butyl)-2-(2-fluoroethoxy)-5-methylbenzamide；N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-fluoroethoxy)-5-methylbenzamide
• CAS: 851705-46-9
• 化学式: C₂₅H₃₃FN₂O₄
• 分子量: 444.546
• InChiKey: QVRVXSZKCXFBTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING
  申请人：Mach Robert

  公开号：US20100150836A1

  公开（公告）日：2010-06-17

  Fluoroalkoxybenzamide compounds which selectively bind Sigma-2 receptors are disclosed. These compounds, when labelled with 18 F, can be used as radiotracers for imaging of tumors by positron emission tomography (PET). In addition, these compounds, when labelled with 123 I, can be used as radiotracers for imaging of tumors by single photon emission computed tomography (SPECT). Methods for synthesis of these compounds are also disclosed.

  本文披露了一种选择性结合Sigma-2受体的氟烷氧基苯酰胺化合物。这些化合物与18F标记后，可用于正电子发射断层扫描（PET）成像肿瘤。此外，这些化合物与123I标记后，可用于单光子发射计算机断层扫描（SPECT）成像肿瘤。本文还披露了这些化合物的合成方法。
• RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING
  申请人：Mach Robert H.

  公开号：US20110230662A1

  公开（公告）日：2011-09-22

  Fluoroalkoxybenzamide compounds which selectively bind Sigma-2 receptors are disclosed. These compounds, when labelled with 18 F, can be used as radiotracers for imaging of tumors by positron emission tomography (PET). In addition, these compounds, when labelled with 123 I, can be used as radiotracers for imaging of tumors by single photon emission computed tomography (SPECT). Methods for synthesis of these compounds are also disclosed.

  本发明公开了选择性结合Sigma-2受体的氟烷氧基苯酰胺化合物。这些化合物标记18F后，可作为正电子发射断层扫描（PET）成像肿瘤的放射性示踪剂。此外，这些化合物标记123I后，可作为单光子发射计算机断层扫描（SPECT）成像肿瘤的放射性示踪剂。本发明还公开了这些化合物的合成方法。
• 211-astatine containing radiotherapeutics for the treatment of cancer
  申请人：The Trustees of The University of Pennsylvania

  公开号：US10457642B2

  公开（公告）日：2019-10-29

  Described herein is an alpha-emitting radionuclide, 211At, which has been incorporated into a selective sigma-2 ligand moiety to provide cytotoxic capabilities to a chemical compound. As described herein, a compound of formula (I), wherein R1-R4, m, and n are defined herein, was prepared and utilized in in vitro and in vivo tumor targeting of alpha-emitting sigma-2 ligand in a breast cancer model. In one embodiment, the compound is 5-(211At)—N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide.

  本文描述的是一种α发射放射性核素 211At，它已被掺入到选择性 sigma-2 配体分子中，为一种化合物提供细胞毒性能力。如本文所述，制备了一种式（I）化合物（其中 R1-R4、m 和 n 在本文中定义），并将其用于乳腺癌模型中α-发射σ-2 配体的体外和体内肿瘤靶向治疗。在一个实施方案中，该化合物是 5-(211At)-N-(4-(6,7-二甲氧基-3,4-二氢异喹啉-2(1H)-基)丁基)-2,3-二甲氧基苯甲酰胺。
• 211-ASTATINE CONTAINING RADIOTHERAPEUTICS FOR THE TREATMENT OF CANCER
  申请人：The Trustees of The University of Pennsylvania

  公开号：US20180162818A1

  公开（公告）日：2018-06-14

  Described herein is an alpha-emitting radionuclide, 211 At, which has been incorporated into a selective sigma-2 ligand moiety to provide cytotoxic capabilities to a chemical compound. As described herein, a compound of formula (I), wherein R 1 -R 4 , m, and n are defined herein, was prepared and utilized in in vitro and in vivo tumor targeting of alpha-emitting sigma-2 ligand in a breast cancer model. In one embodiment, the compound is 5-( 211 At)—N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide.
• US7390902B2
  申请人：——

  公开号：US7390902B2

  公开（公告）日：2008-06-24