(s)-4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinoline-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethyl amide | 1418128-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (s)-4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinoline-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethyl amide
• 英文别名: (s)-4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide；4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethaneylamide；4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinoline-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidine-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide；4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinoline-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide；4-(4-{2-Hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide；4-(4-{2-Hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-carboxylic acid dimethylamide；4-[4-[2-(hydroxymethyl)-3-[6-(2-hydroxypropan-2-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
• CAS: 1418128-09-2
• 化学式: C₃₃H₃₆N₆O₄
• 分子量: 580.687
• InChiKey: SZMBVFYZJRXDCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[4-(3-amino-5-fluoro-2-methyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethylamide 、 4-氯吡咯并嘧啶 、 (s)-4-(4-{2-hydroxymethyl-3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxo-3,4-dihydro-1H-isoquinoline-2-yl]-phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid dimethyl amide 、 生成 4-tert-butyl-N-[2-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl]-benzamide
  参考文献：
  名称：

  Pyrrolo pyrimidine derivatives

  摘要：

  本发明描述了新的吡咯吡嗪衍生物及其药学上可接受的盐，其似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，新型的吡咯吡嗪可能有效治疗自身免疫性疾病、炎症性疾病、过敏性疾病、呼吸道疾病（如哮喘和慢性阻塞性肺疾病（COPD））、移植排斥反应、血液系统起源或实体肿瘤等癌症。

  公开号：

  US09233111B2

文献信息

• [EN] NOVEL PYRROLO PYRIMIDINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRROLOPYRIMIDINE
  申请人：NOVARTIS AG

  公开号：WO2013008095A1

  公开（公告）日：2013-01-17

  The present invention describes new pyrrolo pyrimidine derivatives and pharmaceutically acceptable salts thereof which appear to interact with Bruton's tyrosine kinase (Btk). Accordingly, the novel pyrrolo pyrimidines may be effective in the treatment of autoimmune disorders, inflammatory diseases, allergic diseases, airway diseases, such as asthma and chronic obstructive pulmonary disease (COPD), transplant rejection, cancers e.g. of hematopoietic origin or solid tumors.

  本发明描述了新的吡咯嘧啶衍生物及其药用盐，这些衍生物似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，这些新型吡咯嘧啶可能在治疗自身免疫性疾病、炎症性疾病、过敏性疾病、气道疾病（如哮喘和慢性阻塞性肺病（COPD））、移植排斥、血液系统或实体肿瘤等癌症方面具有有效性。
• NOVEL PYRROLO PYRIMIDINE DERIVATIVES
  申请人：Heng Richard

  公开号：US20140243306A1

  公开（公告）日：2014-08-28

  The present invention describes new pyrrolo pyrimidine derivatives and pharmaceutically acceptable salts thereof which appear to interact with Bruton's tyrosine kinase (Btk). Accordingly, the novel pyrrolo pyrimidines may be effective in the treatment of autoimmune disorders, inflammatory diseases, allergic diseases, airway diseases, such as asthma and chronic obstructive pulmonary disease (COPD), transplant rejection, cancers e.g. of hematopoietic origin or solid tumors.

  本发明描述了新的吡咯吡嗪衍生物及其药学上可接受的盐，它们似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，新型吡咯吡嗪可能在治疗自身免疫性疾病、炎症性疾病、过敏性疾病、呼吸道疾病（如哮喘和慢性阻塞性肺疾病（COPD））、移植排斥、血液系统肿瘤或实体瘤等癌症方面有效。
• US9233111B2
  申请人：——

  公开号：US9233111B2

  公开（公告）日：2016-01-12