6-amino-2-(butylamino)-9-[[4-(hydroxymethyl)phenyl]methyl]-7H-purin-8-one | 1421583-12-1

• 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: 6-amino-2-(butylamino)-9-[[4-(hydroxymethyl)phenyl]methyl]-7H-purin-8-one
• CAS: 1421583-12-1
• 化学式: C₁₇H₂₂N₆O₂
• 分子量: 342.401
• InChiKey: LGNUHYABFUANOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  25
• 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：
  116
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-amino-2-(butylamino)-9-[[4-(hydroxymethyl)phenyl]methyl]-7H-purin-8-one 在 氯化亚砜 、 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：

  4-(氯甲基)苯甲基醇 在 盐酸 、 水 、 溴 、 sodium acetate 、 potassium carbonate 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-amino-2-(butylamino)-9-[[4-(hydroxymethyl)phenyl]methyl]-7H-purin-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

文献信息

• 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。
• 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.
• Anti PD-L1 Conjugates for Treating Tumors
  申请人：BIRDIE BIOPHARMACEUTICALS, INC.

  公开号：US20170290923A1

  公开（公告）日：2017-10-12

  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.
• ANTI-HER2 COMBINATIONS FOR TREATING TUMORS
  申请人：Birdie Biopharmaceuticals, Inc.

  公开号：US20210347911A1

  公开（公告）日：2021-11-11

  The present invention relates to therapeutic combinations and methods for treating cancers using combination therapy.
• ANTI-CD20 COMBINATIONS FOR TREATING TUMORS
  申请人：Birdie Biopharmaceuticals, Inc.

  公开号：US20220204641A1

  公开（公告）日：2022-06-30

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