methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate

• 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
• 英文名称: methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate
• 化学式: C₃₆H₃₈N₄O₅
• 分子量: 606.7
• InChiKey: BDUAKLHVCJVMNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate 、 2-(2-甲氧基乙氧基)乙胺 在 crude residue 、 二氯甲烷 、 silica 、 methanol-dichloromethane 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Chlorin photosensitizing agents for use in photodynamic therapy

  摘要：

  氯素化合物和组合物在光动力疗法中用于治疗眼科、心血管、皮肤、癌症或恶性疾病。

  公开号：

  US20050020559A1
• 作为产物：
  描述：

  、 以 水 为溶剂， 生成 methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate
  参考文献：
  名称：

  Water-soluble porphyrin derivatives and methods of their preparation

  摘要：

  本发明涉及生物活性化合物的化学，特别是一种制备水溶性卟啉衍生物的新方法，尤其是具有一般式（1）的叶绿素衍生物。本发明的化合物可用作光敏剂，用于癌症、传染病和其他疾病的光动力疗法，以及其他情况下的光照射治疗。其中：R1 = H-CH2-CH2，-CH（OAlk）CH3，-CHO，-C（O）CH3；-CH2CH3；-CH（Alk）CH（COAlk）2，-CH2CH（COAlk）2，-CH（Alk）CH2COAlk，-CH（Alk）CH2CH（OH）CH3，-CH2CH2CH（OH）CH3；R2 = -CH3，-CHO，-CH（OH）Alk，-CH=CHAlk，CH2OH，CH2OAlk；R3 = H或较低的烯丙基；G = 亲水性有机胺（例如N-甲基-D-葡萄糖胺和其他含氨基的碳水化合物衍生物、TRIS、氨基酸、寡肽）。Alk = 烷基取代基。

  公开号：

  US20030004334A1

文献信息

• Photosensitizing agents
  申请人：Health Research, Inc.

  公开号：US05002962A1

  公开（公告）日：1991-03-26

  New classes of photosensitizing compounds useful in photodynamic therapy are disclosed. These compounds are simplified dimers and polymers of monohydroxy deuteroporphyrins, hydrophobic ethers of these monomers, and red light-absorbing derivatives of methyl pheophorbide-a.

  本发明揭示了一种在光动力疗法中有用的新型光敏化合物。这些化合物是单羟基双原卟啉的简化二聚体和聚合物，这些单体的疏水性醚以及甲基若菲叶绿素-a的红光吸收衍生物。
• Antineoplastic agents targeted via glut transporters
  申请人：Zheng Gang

  公开号：US20060171893A1

  公开（公告）日：2006-08-03

  The present invention relates to novel antineoplastic agents and cancer diagnostic agents that specifically target neo-plastic cells via the GLUT transportation system. More specifically, the invention relates to conjugates of 2-deoxyglucose, wherein a linker, which includes a covalent bond, is attached to 2-deoxyglucose at the 2 position, and the linker is attached to a therapeutic or diagnostic agent. The invention also relates to methods of treating tumor disease and methods of making the novel compounds of the present invention. The agents of the present invention are superior to previous agents as they are targeted via GLUT transporters.

  本发明涉及一种新型抗肿瘤剂和癌症诊断剂，其通过GLUT运输系统特异性靶向新生肿瘤细胞。更具体地说，本发明涉及2-脱氧葡萄糖的共轭物，其中包括一个连接剂，该连接剂在2-脱氧葡萄糖的2位附加有共价键，并且连接剂与治疗或诊断剂相连。本发明还涉及治疗肿瘤疾病的方法以及制备本发明新化合物的方法。本发明的药物比以前的药物更优越，因为它们通过GLUT转运体进行靶向治疗。
• Antineoplastic Agents Targeted via Glut Transporters
  申请人：Zheng Gang

  公开号：US20080269112A1

  公开（公告）日：2008-10-30

  The present invention relates to novel antineoplastic agents and cancer diagnostic agents that specifically target neoplastic cells via the GLUT transportation system. More specifically, the invention relates to conjugates of 2-deoxyglucose, wherein a linker, which includes a covalent bond, is attached to 2-deoxyglucose at the 2 position, and the linker is attached to a therapeutic or diagnostic agent. The inventions also relates to methods of treating tumor disease and methods of making the novel compounds of the present invention. The agents of the present invention are superior to previous agents as they are targeted via GLUT transporters.

  本发明涉及一种新型抗肿瘤剂和癌症诊断剂，其通过GLUT运输系统特异性地靶向肿瘤细胞。更具体地，本发明涉及2-脱氧葡萄糖的结合物，其中一个包含共价键的连接体连接到2-脱氧葡萄糖的2位，并且连接体连接到治疗或诊断剂。本发明还涉及治疗肿瘤疾病的方法以及制备本发明新化合物的方法。本发明的药剂通过GLUT转运体靶向肿瘤细胞，优于以往的药剂。
• Water-soluble porphyrin derivatives and methods of their preparation
  申请人：CeramOptec Industries, Inc.

  公开号：US20030004334A1

  公开（公告）日：2003-01-02

  The invention relates to the chemistry of biologically active compounds, namely, to a new method to prepare water-soluble porphyrin derivatives, particularly chlorin derivatives having general formulae (1). The compounds of the present invention are useful as photosensitizers for the photodynamic therapy of cancer, of infectious and other diseases, as well as for light irradiation treatments in other cases. 1 where: R 1 ═—CH═CH 2 , —CH(OAlk)CH 3 , —CHO, —C(O)CH 3 ; —CH 2 CH 3 ; —CH(Alk)CH(COAlk) 2 , —CH 2 CH(COAlk) 2 , —CH(Alk)CH 2 COAlk, —CH(Alk)CH 2 CH(OH)CH 3 , —CH 2 CH 2 CH(OH)CH 3 R 2 ═—CH 3 , —CHO, —CH(OH)Alk, —CH═CHAlk, CH 2 OH, CH 2 OAlk; R 3 ═H or lower allyl; G=hydrophilic organic amine (f. ex. N-methyl-D-glucamine and other amino-group containing carbohydrate derivatives, TRIS, aminoacids, oligopeptides). Alk=alkyl substituent.

  本发明涉及生物活性化合物的化学，特别是一种制备水溶性卟啉衍生物的新方法，尤其是具有一般式（1）的叶绿素衍生物。本发明的化合物可用作光敏剂，用于癌症、传染病和其他疾病的光动力疗法，以及其他情况下的光照射治疗。其中：R1 = H-CH2-CH2，-CH（OAlk）CH3，-CHO，-C（O）CH3；-CH2CH3；-CH（Alk）CH（COAlk）2，-CH2CH（COAlk）2，-CH（Alk）CH2COAlk，-CH（Alk）CH2CH（OH）CH3，-CH2CH2CH（OH）CH3；R2 = -CH3，-CHO，-CH（OH）Alk，-CH=CHAlk，CH2OH，CH2OAlk；R3 = H或较低的烯丙基；G = 亲水性有机胺（例如N-甲基-D-葡萄糖胺和其他含氨基的碳水化合物衍生物、TRIS、氨基酸、寡肽）。Alk = 烷基取代基。
• Chlorin photosensitizing agents for use in photodynamic therapy
  申请人：Robinson C Byron

  公开号：US20050020559A1

  公开（公告）日：2005-01-27

  Chlorin compounds and compositions useful in photodynamic therapy for treating ophtalmic, cardiovascular, skin, and cancer or malignant diseases.

  氯素化合物和组合物在光动力疗法中用于治疗眼科、心血管、皮肤、癌症或恶性疾病。