(2S)-2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: (2S)-2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
• 化学式: C₂₂H₂₉N₇O₅
• 分子量: 471.5
• InChiKey: RXWNCPJZOCPEPQ-FANVGCFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• COMPOUNDS AND METHODS TO SENSITIZE CANCER CELLS TO CISPLATIN
  申请人：CEDARS-SINAI MEDICAL CENTER

  公开号：US20190262312A1

  公开（公告）日：2019-08-29

  The present invention generally relates to sensitizer compounds and their use to sensitize cancer and/or pre-cancerous cells of certain cancers to treatment with certain resistance-prone therapeutics used in cancer therapy. In embodiments, the conjugates of particular esters or amides of Near Infrared Dyes, are used as sensitizers to avoid or overcome therapeutic resistance once formed. In embodiments, the sensitizers include conjugates with Cisplatin, Simvastatin, Artemisinin, platin-based compounds or statins. In embodiments, the resistance prone cancer therapeutics include cisplatin, gemcitabine, doxorubicin, paclitaxel, docetaxel, and platin-based compounds. These may be administered in combination with the sensitizer, or the sensitizer itself may comprise an therapeutic-derived moiety conjugated to the sensitizer, for example as is the case for dye-CIS conjugated sensitizers. Alternatively, the sensitizer may be co-administered with one or more therapeutic. Embodiments of the invention may advantageously be used in cancers that have a tendency to develop resistance to such cancer therapeutics and/or to form metastases, including e.g. lung, pancreatic, prostate, testicular, ovarian, cervical, bladder, breast, head and neck, esophageal, and stomach, cancers, germ cell tumors, lymphomas and other cancers.
• SIMVASTATIN AND CHEMOTHERAPEUTIC CONJUGATES WITH A HEPTAMETHINE CARBOCYANINE DYE RESENSITIZE HUMAN TUMORS TO HORMONAL ANTAGONISTS AND CHEMOTHERAPY
  申请人：CEDARS-SINAI MEDICAL CENTER

  公开号：US20190269801A1

  公开（公告）日：2019-09-05

  This application relates to dye-therapeutic moiety conjugates for imaging, targeting, and treating cancerous cells and/or tumors.