[4-[[6-Amino-2-(butylamino)purin-9-yl]methyl]phenyl]methanol | 1421583-10-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [4-[[6-Amino-2-(butylamino)purin-9-yl]methyl]phenyl]methanol
• 英文别名: [4-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]methanol
• CAS: 1421583-10-9
• 化学式: C₁₇H₂₂N₆O
• 分子量: 326.401
• InChiKey: CVYDLKFEVXFWKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [4-[[6-Amino-2-(butylamino)purin-9-yl]methyl]phenyl]methanol 在 盐酸 、 氯化亚砜 、 水 、 溴 、 sodium acetate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 生成 6-amino-2-butylamino-9-(4-morpholin-4-ylmethylbenzyl)-7,9-dihydropurin-8-one
  参考文献：
  名称：

  Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility

  摘要：

  We report the discovery of novel series of highly potent TLR7 agonists based on 8-oxoadenines, 1 and 2 by introducing and optimizing various tertiary amines onto the N(9)-position of the adenine moiety. The introduction of the amino group resulted in not only improved water solubility but also enhanced TLR7 agonistic activity. In particular compound 20 (DSR-6434) indicated an optimal balance between the agonistic potency and high water solubility. It also demonstrated a strong antitumor effect in vivo by intravenous administration in a tumor bearing mice model. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.114
• 作为产物：
  描述：

  6-amino-2-butylamino-9H-purine 、 4-(氯甲基)苯甲基醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到[4-[[6-Amino-2-(butylamino)purin-9-yl]methyl]phenyl]methanol
  参考文献：
  名称：

  Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility

  摘要：

  We report the discovery of novel series of highly potent TLR7 agonists based on 8-oxoadenines, 1 and 2 by introducing and optimizing various tertiary amines onto the N(9)-position of the adenine moiety. The introduction of the amino group resulted in not only improved water solubility but also enhanced TLR7 agonistic activity. In particular compound 20 (DSR-6434) indicated an optimal balance between the agonistic potency and high water solubility. It also demonstrated a strong antitumor effect in vivo by intravenous administration in a tumor bearing mice model. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.114

文献信息

• Anti-HER2 combinations for treating tumors
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US11046781B2

  公开（公告）日：2021-06-29

  A combination which comprises an effective amount of Her2/Neu antagonist and an effective amount of immunotherapeutic that is capable of activating a human plasmacytoid dendritic cell, myeloid dendritic cell, NK cell, or a combination thereof is disclosed.

  本发明公开了一种组合物，其中包括有效量的 Her2/Neu 拮抗剂和有效量的能够激活人类浆细胞树突状细胞、髓样树突状细胞、NK 细胞或其组合的免疫疗法。
• Anti PD-L1 conjugates for treating tumors
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US11130812B2

  公开（公告）日：2021-09-28

  The present invention discloses anti-PD-L/PD-1 Axis antibody conjugates for targeted immunotherapy, as well as compositions comprising said conjugates. Further, the present invention discloses the use of the conjugates in the treatment of tumor/cancer.

  本发明公开了用于靶向免疫疗法的抗-PD-L/PD-1 轴抗体共轭物以及包含上述共轭物的组合物。此外，本发明还公开了共轭物在治疗肿瘤/癌症中的用途。
• Anti-EGFR combinations for treating tumors
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US11136397B2

  公开（公告）日：2021-10-05

  The present invention relates to therapeutic combinations and methods for treating cancers using combination therapy.

  本发明涉及治疗组合以及使用组合疗法治疗癌症的方法。
• Anti-CD20 combinations for treating tumors
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US11220552B2

  公开（公告）日：2022-01-11

  The present invention relates to therapeutic combinations and methods for treating cancers using combination therapy.

  本发明涉及治疗组合以及使用组合疗法治疗癌症的方法。
• COMBINATION THERAPY COMPOSITIONS AND METHODS FOR TREATING CANCERS
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US20170056391A1

  公开（公告）日：2017-03-02

  The present invention relates to therapeutic combinations and methods for treating cancers using combination therapy.