4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-(3-(4-(3-amino propyl amino)butylamino)propylamino)-2-oxoethyl)benzamide | 1548551-79-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-(3-(4-(3-amino propyl amino)butylamino)propylamino)-2-oxoethyl)benzamide
• 英文别名: 4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-(3-(4-(3-aminopropylamino)butylamino)propylamino)-2-oxoethyl)benzamide；4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]benzamide
• CAS: 1548551-79-6
• 化学式: C₂₉H₄₇N₁₁O₃
• 分子量: 597.764
• InChiKey: GNAFHUNKOGZPSK-UHFFFAOYSA-N

物化性质

• 密度：
  1.226±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  43
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  204
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-(3-(4-(3-amino propyl amino)butylamino)propylamino)-2-oxoethyl)benzamide 在 甲醇 、 palladium 10% on activated carbon 、 氢气 、 sodium acetate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N5,N10-diBoc-N14-[4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-amino-2-oxoethyl)benzamido]spermine
  参考文献：
  名称：

  Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists

  摘要：

  一个配方I的共轭化合物：Q-Z—R4，其中Q是TLR7和/或TLR8激动剂，Z—R4是TLR2激动剂，所述共轭化合物在配方II的化合物中选择。

  公开号：

  US20140242108A1
• 作为产物：
  描述：

  2-氯-6-氨基嘌呤 在 N-甲基吗啉 、 盐酸 、 HATU 、 palladium 10% on activated carbon 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 溴 、 caesium carbonate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 20.0~180.0 ℃ 、101.33 kPa 条件下， 反应 72.0h， 生成 4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl)methyl)-N-(2-(3-(4-(3-amino propyl amino)butylamino)propylamino)-2-oxoethyl)benzamide
  参考文献：
  名称：

  Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists

  摘要：

  公开号：

  EP2769738B1

文献信息

• Method of treating cancer with a biomaterial and a toll-like receptor agonist
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10413612B2

  公开（公告）日：2019-09-17

  Provided are drug delivery compositions and devices useful for the treatment and/or prevention of cancer and metastatic tumors. For example, a drug delivery device is provided that comprises a biodegradable scaffold carrying one or more anti-cancer therapeutic agents that activate the innate immune system (e.g., STING agonists) and/or the adaptive immune system (e.g., anti-PD-1 antibodies). The compositions and devices may include a cytokine (e.g., IL-15 superagonist). The drug delivery device can be implanted in the void volume of a resected tumor to prevent tumor regrowth and tumor metastasis. Also provided are methods of making the drug delivery compositions and devices as well as kits containing materials to provide the compositions and devices.

  本文提供了用于治疗和/或预防癌症和转移性肿瘤的给药组合物和装置。例如，提供了一种药物输送装置，它包括一种可生物降解的支架，其中携带一种或多种激活先天性免疫系统（如 STING 激动剂）和/或适应性免疫系统（如抗 PD-1 抗体）的抗癌治疗剂。组合物和装置可包括细胞因子（如 IL-15 超拮抗剂）。该给药装置可植入切除肿瘤的空隙中，以防止肿瘤再生和肿瘤转移。此外，还提供了制造给药组合物和装置的方法，以及含有提供组合物和装置的材料的试剂盒。
• Drug delivery compositions and uses thereof
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10435469B2

  公开（公告）日：2019-10-08

  Provided are drug delivery compositions and devices useful for the treatment and/or prevention of cancer and metastatic tumors. For example, a drug delivery device is provided that comprises a biodegradable scaffold carrying one or more anti-cancer therapeutic agents that activate the innate immune system (e.g., STING agonists) and/or the adaptive immune system (e.g., anti-PD-1 antibodies). The compositions and devices may include a cytokine (e.g., IL-15 superagonist). The drug delivery device can be implanted in the void volume of a resected tumor to prevent tumor regrowth and tumor metastasis. Also provided are methods of making the drug delivery compositions and devices as well as kits containing materials to provide the compositions and devices.

  本文提供了用于治疗和/或预防癌症和转移性肿瘤的给药组合物和装置。例如，提供了一种药物输送装置，它包括一种可生物降解的支架，其中携带一种或多种激活先天性免疫系统（如 STING 激动剂）和/或适应性免疫系统（如抗 PD-1 抗体）的抗癌治疗剂。组合物和装置可包括细胞因子（如 IL-15 超拮抗剂）。该给药装置可植入切除肿瘤的空隙中，以防止肿瘤再生和肿瘤转移。此外，还提供了制造给药组合物和装置的方法，以及含有提供组合物和装置的材料的试剂盒。
• DRUG DELIVERY COMPOSITIONS AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190083626A1

  公开（公告）日：2019-03-21

  Provided are drug delivery compositions and devices useful for the treatment and/or prevention of cancer and metastatic tumors. For example, a drug delivery device is provided that comprises a biodegradable scaffold carrying one or more anti-cancer therapeutic agents that activate the innate immune system (e.g., STING agonists) and/or the adaptive immune system (e.g., anti-PD-1 antibodies). The compositions and devices may include a cytokine (e.g., IL-15 superagonist). The drug delivery device can be implanted in the void volume of a resected tumor to prevent tumor regrowth and tumor metastasis. Also provided are methods of making the drug delivery compositions and devices as well as kits containing materials to provide the compositions and devices.
• COMPOSITIONS AND METHODS FOR CANCER TREATMENT
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20210008048A1

  公开（公告）日：2021-01-14

  Provided are drug delivery compositions and devices useful for the treatment and/or prevention of cancer and metastatic tumors. For example, a drug delivery composition and/or device is provided that comprises a biodegradable scaffold or biomaterial comprising one or more agents that inhibit one or more proinflammatory pathways, such as one or more immune responses mediated by a p38 mitogen-activated protein kinase (MAPK) pathway. In some embodiments, a drug delivery composition and/or device may further comprise one or more agents that activate the innate immune system (e.g., STING agonists) and/or the adaptive immune system (e.g., anti-PD-1 antibodies). In some embodiments, a drug delivery composition and/or device may include a cytokine (e.g., IL-15 superagonist). In some embodiments, a drug delivery composition and/or device can be administered to a tumor resection site (e.g., a void volume resulting from a tumor resection). Such intraoperative administration can prevent tumor regrowth and/or tumor metastasis. Also provided are methods of making drug delivery compositions and devices as well as kits containing materials to provide the same.
• AMPHIPHILIC PLATINUM (IV) PRODRUG AND CANCER TREATMENT PROCESS
  申请人：Kent State University

  公开号：US20220168262A1

  公开（公告）日：2022-06-02

  A fatty acid-like platinum (IV) prodrug is useful for treating cancer (e.g., ovarian cancer). The fatty acid-like platinum (IV) prodrug may be used in combination with a M1 macrophage.