(2R,3R,4S,5R)-2-(6-benzylsulfanyl-6-hydroxy-1H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

• 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: (2R,3R,4S,5R)-2-(6-benzylsulfanyl-6-hydroxy-1H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
• 英文别名: (2R,3R,4S,5R)-2-(6-benzylsulfanyl-6-hydroxy-3H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• 化学式: C₁₇H₂₀N₄O₅S
• 分子量: 392.4
• InChiKey: KTPANJZIYBETOW-IWKSVZPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  158
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY
  申请人：THE CLEVELAND CLINIC FOUNDATION

  公开号：US20170253589A1

  公开（公告）日：2017-09-07

  Imidazopyridine derivatives according to formula I are described wherein X is selected from CH, N, S, and O, Y is selected from S, CO, and O, R 1 and optional R 2 are independently selected from H, OH, substituted or unsubstituted C 1 -C 6 alkyl, and substituted or unsubstituted C 4 -C 6 cycloalkyl or cycloheteroalkyl, R 3 is selected from H, OH, substituted or unsubstituted C 1 -C 6 alkyl, and optional Z is selected from OH, NH 2 , NH(CO)R 4 , NH(SO 2 )R 4 , guanidine, alkylguanidine, and fluoroguanidine, R 4 is polyethylene glycol or substituted or unsubstituted C 1 -C 6 alkyl, and pharmaceutically acceptable salt thereof. The imidazopyridine derivatives can be used for treatment of cancer in a subject.

  根据公式I描述的咪唑吡啶衍生物，其中X选自CH、N、S和O，Y选自S、CO和O，R1和可选的R2分别选自H、OH、取代或未取代的C1-C6烷基，以及取代或未取代的C4-C6环烷基或环杂烷基，R3选自H、OH、取代或未取代的C1-C6烷基，可选的Z选自OH、NH2、NH(CO)R4、NH(SO2)R4、胍、烷基胍和氟代胍，R4为聚乙二醇或取代或未取代的C1-C6烷基，及其药用盐。这些咪唑吡啶衍生物可用于治疗受试者的癌症。
• Myeloid differentiation inducing agents
  申请人：CASE WESTERN RESERVE UNIVERSITY

  公开号：US10300049B2

  公开（公告）日：2019-05-28

  Myeloid differentiating agents can be used in the treatment of myeloid proliferative disorders.

  骨髓分化剂可用于治疗骨髓增生性疾病。
• Antitumor derivatives for differentiation therapy
  申请人：THE CLEVELAND CLINIC FOUNDATION

  公开号：US10370373B2

  公开（公告）日：2019-08-06

  Imidazopyridine derivatives according to formula I are described wherein X is selected from CH, N, S, and O, Y is selected from S, CO, and O, R1 and optional R2 are independently selected from H, OH, substituted or unsubstituted C1-C6 alkyl, and substituted or unsubstituted C4-C6 cycloalkyl or cycloheteroalkyl, R3 is selected from H, OH, substituted or unsubstituted C1-C6 alkyl, and optional Z is selected from OH, NH2, NH(CO)R4, NH(SO2)R4, guanidine, alkylguanidine, and fluoroguanidine, R4 is polyethylene glycol or substituted or unsubstituted C1-C6 alkyl, and pharmaceutically acceptable salt thereof. The imidazopyridine derivatives can be used for treatment of cancer in a subject.

  根据式 I 描述了咪唑吡啶衍生物 其中 X 选自 CH、N、S 和 O，Y 选自 S、CO 和 O，R1 和任选的 R2 独立选自 H、OH、取代或未取代的 C1-C6 烷基和取代或未取代的 C4-C6 环烷基或环杂环烷基，R3 选自 H、OH、取代或未取代的 C1-C6 烷基，任选 Z 选自 OH、NH2、NH(CO)R4、NH(SO2)R4、胍、烷基胍和氟胍，R4 是聚乙二醇或取代或未取代的 C1-C6 烷基，以及它们的药学上可接受的盐。咪唑吡啶衍生物可用于治疗受试者的癌症。
• New analogs of nitrobenzylthioinosine
  申请人：Grünenthal GmbH

  公开号：EP1612210B1

  公开（公告）日：2007-09-26
• NEW ANALOGS OF NITROBENZYLTHIOINOSINE
  申请人：Grünenthal GmbH

  公开号：EP1761534A2

  公开（公告）日：2007-03-14