(S)-N-(4-amino-5-(quinolin-3-yl)-7,8,9,10-tetrahydro-6H-pyrimido[5',4':4,5]pyrrolo[1,2-a]azepin-9-yl)acrylamide | 1451370-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (S)-N-(4-amino-5-(quinolin-3-yl)-7,8,9,10-tetrahydro-6H-pyrimido[5',4':4,5]pyrrolo[1,2-a]azepin-9-yl)acrylamide
• 英文别名: N-[(13S)-6-amino-8-quinolin-3-yl-1,3,5-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-13-yl]prop-2-enamide
• CAS: 1451370-07-2
• 化学式: C₂₃H₂₂N₆O
• 分子量: 398.467
• InChiKey: RWIKIGJGPDMUMW-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  98.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• QUINOLYL PYRROLO PYRIMIDYL CONDENSED-RING COMPOUND AND SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20140057899A1

  公开（公告）日：2014-02-27

  The present invention provides a new compound that has an inhibitory action against EGFR and that has cell growth inhibitory effects. The present invention further provides a pharmaceutical preparation useful for preventing and/or treating cancer, based on the EGFR inhibitory effect of the compound. A compound represented by the following Formula (I) or a salt thereof.

  本发明提供了一种对EGFR具有抑制作用并具有细胞生长抑制作用的新化合物。本发明还提供了一种药物制剂，可根据该化合物的EGFR抑制作用用于预防和/或治疗癌症。由下式（I）表示的化合物或其盐。
• METHOD FOR PRODUCNG TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20160115172A1

  公开（公告）日：2016-04-28

  An object of the present invention is to provide a method for reproducibly producing a pyrrolopyrimidine ring-containing tricyclic compound in high yield with reduced formation of by-products, and to provide a novel tricyclic compound capable of being obtained by this production method. The present invention provides a method for producing a compound represented by Formula (1) or a salt thereof, the method comprising the steps of: (I) causing an organic borane reagent to act on a compound represented by Formula (2) or a salt thereof, and (II) performing an intramolecular cyclization reaction of the reaction product of step (I) above using a zerovalent palladium catalyst in the presence of an alkali metal hydroxide.

  本发明的目的是提供一种方法，以高收率可重复地生产含有吡咯吡嘧啶环的三环化合物，并减少副产物的形成，并提供一种能够通过这种生产方法获得的新型三环化合物。本发明提供了一种制备由式（1）或其盐所表示的化合物的方法，该方法包括以下步骤：（I）使有机硼试剂作用于由式（2）或其盐所表示的化合物，和（II）在碱金属氢氧化物存在下，使用零价钯催化剂对步骤（I）中的反应产物进行分子内环化反应。
• METHOD FOR PRODUCING TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2960241A1

  公开（公告）日：2015-12-30

  An object of the present invention is to provide a method for reproducibly producing a pyrrolopyrimidine ring-containing tricyclic compound in high yield with reduced formation of by-products, and to provide a novel tricyclic compound capable of being obtained by this production method. The present invention provides a method for producing a compound represented by Formula (1) or a salt thereof, the method comprising the steps of: (I) causing an organic borane reagent to act on a compound represented by Formula (2) or a salt thereof, and (II) performing an intramolecular cyclization reaction of the reaction product of step (I) above using a zerovalent palladium catalyst in the presence of an alkali metal hydroxide.

  本发明的目的是提供一种高产率、减少副产物形成的可重复生产含吡咯并嘧啶环的三环化合物的方法，并提供一种可通过该生产方法获得的新型三环化合物。本发明提供了一种生产式（1）代表的化合物或其盐的方法，该方法包括以下步骤：(I)使有机硼烷试剂作用于式(2)所代表的化合物或其盐，和(II)在碱金属氢氧化物存在下，使用零价钯催化剂对上述步骤(I)的反应产物进行分子内环化反应。
• QUINOLYLPYRROLOPYRIMIDYL FUSED-RING COMPOUND OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2722332B1

  公开（公告）日：2016-04-20
• US8889666B2
  申请人：——

  公开号：US8889666B2

  公开（公告）日：2014-11-18