羟基茜草素NT2 | 99128-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 中文名称: 羟基茜草素NT2
• 英文名称: NT2 Purpurin
• 英文别名: ethyl 5,11,12,16,17,21,22,26-octaethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,7,9,11,13,15,17,19,21-undecaene-4-carboxylate
• CAS: 99128-91-3
• 化学式: C₄₁H₅₂N₄O₂
• 分子量: 632.9
• InChiKey: NYXANDABNMOLBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  83.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  羟基茜草素NT2 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以leaving 50 mg porphyrin derivative (hereafter "Porphyrin NT2") which的产率得到21H,22H-Porphine
  参考文献：
  名称：

  Porphyrin derivatives

  摘要：

  本发明揭示了苯并氯菁家族、绿菁家族、卟啉衍生物家族及其金属配合物家族。苯并氯菁的分子式为附图3；其金属配合物的分子式为附图1。绿菁的分子式为附图4；其金属配合物的分子式为附图2。卟啉衍生物的分子式为附图9；其金属配合物的分子式为附图10。本发明还揭示了生理上可接受用于静脉注射的苯并氯菁、绿菁、卟啉衍生物及其金属配合物的溶液，以及这些溶液的乳剂或悬浮液，和还包括环糊精的组成物，其中苯并氯菁、绿菁、卟啉衍生物或金属配合物的分子被封装在环糊精的分子内。溶液的溶剂可以是乙氧基化蓖麻油的反应产物。本发明还揭示了一种检测和治疗人和动物患者肿瘤的方法。该方法包括向患者注射苯并氯菁、绿菁、卟啉衍生物或金属配合物之一。对于检测，肿瘤区域然后用紫外光照明；对于治疗，肿瘤区域则用所注射的苯并氯菁、绿菁、卟啉衍生物或配合物显示吸收峰的可见光波长照明。

  公开号：

  US05109129A1

文献信息

• Compositions of porphyrin derivatives
  申请人：University of Toledo

  公开号：US05438051A1

  公开（公告）日：1995-08-01

  A family of benzochlorins, a family of verdins, a family of porphyrin derivatives and metal complexes thereof are disclosed. The benzochlorins have the formula of FIG. 3 of the attached drawings; their metal complexes have the formula of FIG. 1 . The verdins have the formula of FIG. 4 of the attached drawings; their metal complexes have the formula of FIG. 2. The porphyrin derivatives have the formula of FIG. 7 of the attached drawings; their metal complexes have the formula of FIG. 8. Solutions of the benzochlorins, verdins, porphyrin derivatives and metal complexes which are physiologically acceptable for intravenous administration are also disclosed, as are emulsions or suspensions of the solutions, and compositions which additionally include cyclodextrin, and wherein the molecules of the benzochlorin, verdin, porphyrin derivative or metal complex are encapsulated within the molecules of the cyclodextrin. The solvent for the solutions can be a product of the reaction of ethylene oxide with castor oil. A method for detecting and treating tumors in human and animal patients is also disclosed. The method comprises administering one of the benzochlorins, verdins, porphyrin derivatives or metal complexes to the patient. For detection, the tumor area is then illuminated with ultra violet light; for treatment, the tumor area is illuminated with visible light of a wavelength at which the benzochlorin, verdin, porphyrin derivative or complex administered shows an absorption peak.

  本文披露了苯并氯卟啉家族、绿素家族、卟啉衍生物家族及其金属配合物家族。其中，苯并氯卟啉的化学式如附图3所示；它们的金属配合物的化学式如附图1所示。绿素的化学式如附图4所示；它们的金属配合物的化学式如附图2所示。卟啉衍生物的化学式如附图7所示；它们的金属配合物的化学式如附图8所示。本文还披露了生理上可接受用于静脉注射的苯并氯卟啉、绿素、卟啉衍生物和金属配合物的溶液，以及这些溶液的乳状液或悬浮液，以及还包括环糊精的组合物，其中苯并氯卟啉、绿素、卟啉衍生物或金属配合物的分子被封装在环糊精的分子内。溶液的溶剂可以是乙氧基化蓖麻油的反应产物。本文还披露了一种用于检测和治疗人类和动物患者肿瘤的方法。该方法包括向患者注射苯并氯卟啉、绿素、卟啉衍生物或金属配合物之一。对于检测，肿瘤区域然后用紫外线照明；对于治疗，肿瘤区域则用波长为所注射的苯并氯卟啉、绿素、卟啉衍生物或配合物显示吸收峰的可见光照明。
• Production and use of porphyrin derivatives and of compositions
  申请人：The University of Toledo

  公开号：US04988808A1

  公开（公告）日：1991-01-29

  A family of benzochlorins, a family of verdins, a family of porphyrin derivatives and metal complexes thereof are disclosed. The benzochlorins have the formula of FIG. 3 of the attached drawings; their metal complexes have the formula of FIG. 1. The verdins have the formula of FIG. 4 of the attached drawings; their metal complexes have the formula of FIG. 2. The porphyrin derivatives have the formula of FIG. 9 of the attached drawings; their metal complexes have the formula of FIG. 10. Solutions of the benzochlorins, verdins, porphyrin derivatives and metal complexes which are physiologically acceptable for intravenous administration are also disclosed, as are emulsions or suspensions of the solutions, and compositions which additionally include cyclodextrin, and wherein the molecules of the benzochlorin, verdin, porphyrin derivatives or metal complex are encapsulated within the molecules of the cyclodextrin. The solvent for the solutions can be a product of the reaction of ethylene oxide with castor oil. A method for detecting and treating tumors in human and animal patients is also disclosed. The method comprises administering one of the benzochlorins, verdins, porphyrin derivatives or metal complexes to the patient. For detection, the tumor area is then illuminated with ultra violet light; for treatment, the tumor area is illuminated with visible light of a wavelength at which the benzochlorin, verdin, porphyrin derivatives or complex administered shows an absorption peak.

  本发明涉及苯并氯素家族、绿素家族、卟啉衍生物家族及其金属配合物家族。其中，苯并氯素的化学式如所附图3所示；其金属配合物的化学式如所附图1所示。绿素的化学式如所附图4所示；其金属配合物的化学式如所附图2所示。卟啉衍生物的化学式如所附图9所示；其金属配合物的化学式如所附图10所示。本发明还涉及生理上可接受的静脉注射溶液、乳液或悬浮液，以及包括环糊精的组合物，其中苯并氯素、绿素、卟啉衍生物或金属配合物的分子被包封在环糊精的分子内。溶液的溶剂可以是乙氧基化蓖麻油反应产物。本发明还涉及一种检测和治疗人和动物患者肿瘤的方法。该方法包括向患者注射苯并氯素、绿素、卟啉衍生物或金属配合物之一。对于检测，肿瘤区域随后用紫外光照明；对于治疗，肿瘤区域用波长为所注射的苯并氯素、绿素、卟啉衍生物或配合物吸收峰的可见光照明。
• Uses of benzochlorins, verdins and porphyrin derivatives and of
  申请人：University of Toledo

  公开号：US05552134A1

  公开（公告）日：1996-09-03

  A family of benzochlorins, a family of verdins, a family of porphyrin derivatives and metal complexes thereof are disclosed. The benzochlorins have the formula of FIG. 3 of the attached drawings; their metal complexes have the formula of FIG. 1. The verdins have the formula of FIG. 4 of the attached drawings; their metal complexes have the formula of FIG. 2. The porphyrin derivatives have the formula of FIG. 7 of the attached drawings; their metal complexes have the formula of FIG. 8. Solutions of the benzochlorins, verdins, porphyrin derivatives and metal complexes which are physiologically acceptable for intravenous administration are also disclosed, as are emulsions or suspensions of the solutions, and compositions which additionally include cyclodextrin, and wherein the molecules of the benzochlorin, verdin, porphyrin derivative or metal complex are encapsulated within the molecules of the cyclodextrin. The solvent for the solutions can be a product of the reaction of ethylene oxide with castor oil. A method for detecting and diseased tissue in human and animal patients is also disclosed. The method comprises administering one of the benzochlorins, verdins, porphyrin derivatives or metal complexes to the patient. For detection, the diseased tissue is then illuminated with ultra violet light or light at which the benzochlorin or the like administered has an absorption peak; for treatment, the diseased tissue is illuminated with visible light of a wavelength at which the benzochlorin or the like administered shows an absorption peak. A method for treating blood and other body fluids and tissues is also disclosed. The method comprises in vitro irradiation of the body fluid or tissue and an effective amount of a benzochlorin or the like with light of a wavelength at which the benzochlorin or the like has an absorbance peak.

  本发明涉及苯并氯菊红家族、绿素家族、卟啉衍生物家族以及它们的金属配合物家族。苯并氯菊红的公式如附图3所示；它们的金属配合物的公式如附图1所示。绿素的公式如附图4所示；它们的金属配合物的公式如附图2所示。卟啉衍生物的公式如附图7所示；它们的金属配合物的公式如附图8所示。本发明还公开了生理上可接受用于静脉注射的苯并氯菊红、绿素、卟啉衍生物和金属配合物的溶液，以及这些溶液的乳剂或悬浮液，以及还包括环糊精的组合物，其中苯并氯菊红、绿素、卟啉衍生物或金属配合物的分子被封装在环糊精分子内。溶液的溶剂可以是乙氧基化蓖麻油的反应产物。本发明还公开了一种检测人和动物患者的疾病组织的方法。该方法包括向患者注射苯并氯菊红、绿素、卟啉衍生物或金属配合物之一。对于检测，然后使用紫外线光或苯并氯菊红或类似物质具有吸收峰的光照射患病组织；对于治疗，使用苯并氯菊红或类似物质显示吸收峰的波长的可见光照射患病组织。本发明还公开了一种处理血液和其他体液和组织的方法。该方法包括体外辐照体液或组织以及苯并氯菊红或类似物的有效量，其在苯并氯菊红或类似物具有吸收峰的波长下用光照射。