2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-6-[2-[2-[2-[[(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-6-[2-[2-[2-[[(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid
• 化学式: C₅₅H₇₂N₄O₁₄S₂
• 分子量: 1077.3
• InChiKey: XERYKUVUFKFFDZ-XXSMHKBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  75
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  308
• 氢给体数：
  7
• 氢受体数：
  16

文献信息

• Lipid-Conjugated Rhamnose for Immune System Recruitment and Oncotherapy
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20140112975A1

  公开（公告）日：2014-04-24

  L-Rhamnose antigen-lipid conjugates for recruitment of the immune system to sites of tumor growth for initiating an anti-tumor antigen response. Methods for introducing L-rhamnose antigen-conjugated lipids into cell membranes such that L-rhamnose antigens are displayed on the cell surface. The cells can be tumor cells and more specifically can be melanoma cells. Cells are contacted with one or more L-rhamnose antigen-lipid conjugates such that L-rhamnose antigen-lipid conjugates are inserted into the cell membrane. The cells can be contacted for example by intratumoral injection. Pharmaceutical compositions containing the L-rhamnose antigen-lipid conjugates and therapeutic methods employing the conjugates and compositions.

  L-岩藻糖抗原-脂质共轭物用于招募免疫系统到肿瘤生长部位，以启动抗肿瘤抗原反应。介绍L-岩藻糖抗原共轭脂质进入细胞膜的方法，使L-岩藻糖抗原显示在细胞表面。细胞可以是肿瘤细胞，更具体地可以是黑色素瘤细胞。将细胞与一个或多个L-岩藻糖抗原-脂质共轭物接触，使L-岩藻糖抗原-脂质共轭物插入细胞膜。例如，可以通过肿瘤内注射接触细胞。含有L-岩藻糖抗原-脂质共轭物的制药组合物和使用共轭物和组合物的治疗方法。