6-amino-9-{(3S)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-pyrrolidinyl}-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one | 1351636-01-5

• 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: 6-amino-9-{(3S)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-pyrrolidinyl}-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one
• 英文别名: 6-amino-9-[(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
• CAS: 1351636-01-5
• 化学式: C₂₇H₂₉N₇O₃
• 分子量: 499.572
• InChiKey: QAJWIQPADDZLEC-ZGBFETHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• PURINONE DERIVATIVE
  申请人：Yamamoto Shingo

  公开号：US20130079327A1

  公开（公告）日：2013-03-28

  Compounds represented by general formula (I) (all of the symbols in the formula conform to the definitions in the Description) are compounds that, in addition to having a Btk-selective inhibitory activity, exhibit an excellent metabolic stability and can avoid hepatotoxicity or the like, and as a consequence can provide safe therapeutic agents for diseases in which B cells or mast cells participate.

  由一般公式（I）表示的化合物（公式中的所有符号符合说明中的定义）是除了具有Btk选择性抑制活性外，还表现出优异的代谢稳定性，可以避免肝毒性或类似情况，从而可以为B细胞或肥大细胞参与的疾病提供安全的治疗药物。
• PURINONE DERIVATIVE AS BTK KINASE INHIBITOR
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP3112368A1

  公开（公告）日：2017-01-04

  Compounds represented by general formula (I) as drawn below (all of the symbols in the formula conform to the definitions in the Description) are compounds that, in addition to having a Btk-selective inhibitory activity, exhibit an excellent metabolic stability and can avoid hepatotoxicity or the like, and as a consequence can provide safe therapeutic agents for diseases in which B cells or mast cells participate.

  下图中通式（I）所代表的化合物（式中所有符号均符合说明中的定义），除了具有 Btk 选择性抑制活性外，还具有极佳的代谢稳定性，可避免肝毒性等，因此可为 B 细胞或肥大细胞参与的疾病提供安全的治疗剂。
• Prophylactic agent and/or therapeutic agent for diffuse large B-cell lymphoma
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US10137129B2

  公开（公告）日：2018-11-27

  To provide a medicament which shows more remarkable effect in treatment of activated B-cell like diffuse large B-cell lymphoma (ABC-CLBCL) than the existing Btk inhibitor, and is excellent in safety. The present compound exhibits more remarkable effect in treatment of activated B-cell like diffuse large B-cell lymphoma (ABC-DLBCL) patients, inter alia, ABC-DLBCL patients having CD79B wild-type gene background than the existing Btk inhibitor, and therefore, it can attain the object of the present invention.

  提供一种在治疗活化B细胞弥漫性大B细胞淋巴瘤（ABC-CLBCL）方面比现有的Btk抑制剂效果更显著、安全性更好的药物。与现有的 Btk 抑制剂相比，本发明化合物在治疗活化的 B 细胞弥漫性大 B 细胞淋巴瘤（ABC-DLBCL）患者（尤其是具有 CD79B 野生型基因背景的 ABC-DLBCL 患者）方面效果更显著，因此可以达到本发明的目的。
• Purinone derivative
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US10233185B2

  公开（公告）日：2019-03-19

  Compounds represented by general formula (I) (all of the symbols in the formula conform to the definitions in the Description) are compounds that, in addition to having a Btk-selective inhibitory activity, exhibit an excellent metabolic stability and can avoid hepatotoxicity or the like, and as a consequence can provide safe therapeutic agents for diseases in which B cells or mast cells participate.

  通式（I）所代表的化合物（式中的所有符号均符合说明中的定义）除了具有 Btk 选择性抑制活性外，还具有极佳的代谢稳定性，可避免肝毒性或类似毒性，因此可为 B 细胞或肥大细胞参与的疾病提供安全的治疗剂。
• COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BTK INHIBITOR
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3066126B1

  公开（公告）日：2019-03-27