4,4′,5,6,7-pentachloro-2′,5′,7′-triiodofluorescein | 1277101-14-0

• 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: 4,4′,5,6,7-pentachloro-2′,5′,7′-triiodofluorescein
• 英文别名: 4,4',5,6,7-Pentachloro-3',6'-dihydroxy-2',5',7'-triiodospiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS: 1277101-14-0
• 化学式: C₂₀H₄Cl₅I₃O₅
• 分子量: 882.227
• InChiKey: HFKCVAAQEVKLRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,4',5,6,7-pentachloro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one 以98.7%的产率得到4,4′,5,6,7-pentachloro-2′,5′,7′-triiodofluorescein
  参考文献：
  名称：

  Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (Rose Bengal) and Related Xanthenes

  摘要：

  一种用于高纯度碘化黄色素制造的新工艺包括一个环化步骤，然后是一个碘化步骤。不需要提取、色谱或溶剂浓缩步骤，中间体和最终化合物均通过过滤或类似手段分离。该工艺需要一种有机溶剂，并且步骤在100°C以下的温度下完成。通过排除氯化物离子、氯自由基、次氯酸根离子或次氯酸作为试剂或从可能在氧化剂存在的情况下生成这些物种的试剂中排除，防止不良杂质形成。使用这些方法已经构思并分离出了几种新化合物。这些新化合物也被制成了新药物。

  公开号：

  US20110071217A1

文献信息

• [EN] NOVEL OXAZOLE COMPOUNDS AS β-CATENIN MODULATORS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS OXAZOLES POUVANT ÊTRE UTILISÉS COMME MODULATEURS DE LA Β-CATÉNINE ET LEURS UTILISATIONS
  申请人：UNIV NEW YORK

  公开号：WO2016081451A1

  公开（公告）日：2016-05-26

  Oxazole compounds according to formula I: are provided as inhibitors of the Wnt pathway that specifically target the activity of the stabilized pool of β-cat. The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, cancer, and other conditions related to Wnt pathway dysfunction, including pulmonary fibrosis.

  根据公式I提供的噁唑化合物可作为Wnt通路的抑制剂，专门针对稳定的β- cat活性。这些化合物可制备为药物组合物，并可用于哺乳动物，包括人类的预防和治疗多种疾病，例如癌症以及与Wnt通路功能障碍相关的其他疾病，包括肺纤维化。
• [EN] PROCESS FOR THE SYNTHESIS OF 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5'7'-TETRAIODO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE (ROSE BENGAL) AND RELATED XANTHENES<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE 4,5,6,7-TÉTRACHLORO-3',6'-DIHYDROXY-2',4',5'7'-TÉTRAÏODO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE (ROSE BENGALE) ET DE XANTHÈNES APPARENTÉS
  申请人：PROVECTUS PHARMACEUTICALS INC

  公开号：WO2011035161A1

  公开（公告）日：2011-03-24

  A new process for the manufacture of iodinated xanthenes in high purity includes a cyclization step followed by an iodination step. No extraction, chromatographic or solvent concentration steps are required, and the intermediate as well as final compounds are isolated via filtration or similar means. The process requires a single organic solvent, and the steps are completed at temperatures below 100°C. The exclusion of chloride ions, of chloride free-radicals, hypochlorite ions, or hypochlorous acid as reagents or from reagents that may generate these species in situ in the presence of oxidants, prevents undesirable impurity formation. Several new compounds have been conceived and isolated using these methods. These new compounds are also formed into new medicaments.

  一种制备高纯度碘代黄色素的新工艺包括环化步骤和碘化步骤。不需要萃取、色谱或溶剂浓缩步骤，中间体和最终化合物均通过过滤或类似手段分离。该工艺需要单一有机溶剂，并且步骤在100℃以下完成。排除氯离子、自由氯自由基、次氯酸盐离子或次氯酸作为试剂或从可能在氧化剂存在下生成这些物种的试剂中排除，可以防止不良杂质形成。使用这些方法已经构思并分离出几种新化合物。这些新化合物也被制成了新药物。
• Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one(Rose Bengal) and Related Xanthenes
  申请人：Provectus Pharmaceuticals, Inc.

  公开号：US20130274322A1

  公开（公告）日：2013-10-17

  A new process for the manufacture of iodinated xanthenes in high purity includes a cyclization step followed by an iodination step. No extraction, chromatographic or solvent concentration steps are required, and the intermediate as well as final compounds are isolated via filtration or similar means. The process requires a single organic solvent, and the steps are completed at temperatures below 100° C. The exclusion of chloride ions, of chloride free-radicals, hypochlorite ions, or hypochlorous acid as reagents or from reagents that may generate these species in situ in the presence of oxidants, prevents undesirable impurity formation. Several new compounds have been conceived and isolated using these methods. These new compounds are also formed into new medicaments.

  一种制备高纯度碘代黄色素的新工艺，包括环化步骤和碘化步骤。不需要提取、色谱或溶剂浓缩步骤，中间体和最终化合物均通过过滤或类似方法分离。该工艺需要单一有机溶剂，并且步骤在100℃以下完成。排除氯离子、氯自由基、次氯酸根离子或次氯酸作为试剂或从可能在氧化剂存在下生成这些物种的试剂中生成，防止不良杂质的形成。使用这些方法已经构思和分离了几种新化合物。这些新化合物也被制成新药物。
• Method of ex vivo enhancement of immune cell activity for cancer immunotherapy with a small molecule ablative compound
  申请人：Singer Jamie

  公开号：US10130658B2

  公开（公告）日：2018-11-20

  A cancer immunotherapy method is disclosed in which “induced immune anticancer agents” are isolated after being induced in an animal host by intralesional (IL) administration of a halogenated xanthene tumor-ablative compound into a solid cancerous tumor of that host animal. A sample of the induced immune anticancer agents is removed (collected) from the tumor-bearing host, banked if desired, cultured and preferentially expanded to form an immunologically-effective enriched tumor-specific immune anticancer agent composition. That composition is reintroduced in to the host from which the predecessor induced immune anticancer agents were taken, or into another immunologically suitable host in need.

  本发明公开了一种癌症免疫治疗方法，在该方法中，通过在动物宿主的实体瘤内注射卤化呫吨肿瘤消融化合物，在动物宿主体内诱导 "诱导免疫抗癌剂"，然后分离出 "诱导免疫抗癌剂"。从肿瘤宿主体内取出（收集）诱导的免疫抗癌剂样本，如果需要的话，将其储存起来，培养并优先扩增，以形成免疫有效的富集肿瘤特异性免疫抗癌剂组合物。该组合物被重新输入到提取了前代诱导免疫抗癌剂的宿主体内，或输入到另一个需要的免疫学上合适的宿主体内。
• Combination of local rose bengal and systemic immunomodulative therapies for enhanced treatment of cancer
  申请人：Provectus Pharmatech, Inc.

  公开号：US10471144B2

  公开（公告）日：2019-11-12

  A method for the treatment of cancer comprising administration of a therapeutically effective amount of an intralesional chemoablative pharmaceutical composition, or variant of said composition, in combination with a therapeutically effective amount of a systemic immunomodulatory anticancer agent. A further method for the treatment of cancer comprising administration of a therapeutically effective amount of an intralesional chemoablative pharmaceutical composition, or variant of said composition, in combination with a therapeutically effective amount of a systemic targeted anticancer agent. The present invention is further directed to pharmaceutical compositions for treatment of cancer. The intralesional chemoablative pharmaceutical composition can comprise an IL chemoablative agent comprising primarily a halogenated xanthene.

  一种治疗癌症的方法，包括给予治疗有效量的鞘内化瘤消融药物组合物或所述组合物的变体，并与治疗有效量的全身性免疫调节抗癌剂联合使用。另一种治疗癌症的方法，包括给予治疗有效量的鞘内化瘤消融药物组合物或所述组合物的变体，与治疗有效量的全身性靶向抗癌剂联合使用。本发明进一步涉及治疗癌症的药物组合物。瘤内化学消融药物组合物可包括一种主要由卤化呫吨组成的IL化学消融剂。