8-chloro-3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one | 1350643-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 8-chloro-3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
• CAS: 1350643-88-7
• 化学式: C₂₃H₁₇ClFN₅O
• 分子量: 433.872
• InChiKey: INGYHRZQJMAEEX-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  73.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION<br/>[FR] COMPOSÉS CHIMIQUES, COMPOSITIONS ET PROCÉDÉS POUR MODULATION DE KINASES
  申请人：INTELLIKINE INC

  公开号：WO2011146882A1

  公开（公告）日：2011-11-24

  Chemical compounds that modulate kinase activity, including PI3 kinase activity, and chemical compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性的化合物，包括PI3激酶活性，以及与激酶活性相关的疾病和病况的化合物、药物组合物和治疗方法，包括PI3激酶活性。
• CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS
  申请人：Ren Pingda

  公开号：US20090312319A1

  公开（公告）日：2009-12-17

  Chemical entities that modulate PI3 kinase activity, pharmaceutical compositions containing the chemical entities, and methods of using these chemical entities for treating diseases and conditions associated with PI3 kinase activity are described herein.

  本文描述了调节PI3激酶活性的化学实体、含有这些化学实体的药物组合物，以及使用这些化学实体治疗与PI3激酶活性相关的疾病和病症的方法。
• CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION
  申请人：Ren Pingda

  公开号：US20120059000A1

  公开（公告）日：2012-03-08

  Chemical compounds that modulate kinase activity, including PI3 kinase activity, and chemical compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including P13 kinase activity, are described herein.

  本文描述了调节激酶活性的化合物，包括PI3激酶活性的化合物，以及与激酶活性相关的疾病和病状的化合物、药物组合物和治疗方法。
• PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES
  申请人：Intellikine, LLC

  公开号：EP3150609A1

  公开（公告）日：2017-04-05

  A process for preparing a compound of formula: wherein R3 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, alkoxy, amido, amino, alkoxycarbonyl sulfonamido, halo, cyano, hydroxy or nitro, comprising reacting a compound of formula: with a compound of formula: in the presence of a base. The THP group may be removed with acid to make chemical entities that modulate PI3 kinase activity for treating diseases and conditions associated with PI3 kinase activity and/or formulated into pharmaceutical compositions containing such chemical entities.

  一种制备式化合物的工艺： 其中 R3 为氢、烷基、烯基、炔基、环烷基、杂环烷基、烷氧基、氨基、氨基、烷氧羰基磺酰胺基、卤代、氰基、羟基或硝基，包括将式： 与式 的化合物在碱存在下进行反应。THP基团可以用酸去除，制成调节PI3激酶活性的化学实体，用于治疗与PI3激酶活性相关的疾病和病症，和/或配制成含有此类化学实体的药物组合物。
• A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION
  申请人：Intellikine, LLC

  公开号：EP3441392A1

  公开（公告）日：2019-02-13

  A pharmaceutical composition for oral administration comprising an effective amount of a compound of Formula V-A2: or a pharmaceutically acceptable salt thereof; wherein B is a moiety of Formula II: Wc is aryl, heteroaryl, heterocycloalkyl, or cycloalkyl; q is an integer of 0 or 1; R1 is hydrogen, alkyl, or halo; R2 is alkyl or halo; R3 is halo; and R9 is alkyl, or heterocycloalkyl; and one or more pharmaceutically acceptable excipients suitable for oral administration. The pharmaceutical composition may contain an effective amount of a second agent such as a chemotherapeutic agent, e.g. a proteasome inhibitor, an alkylating agent or a therapeutic antibody.

  一种口服药物组合物，包含有效量的式 V-A2 化合物： 或其药学上可接受的盐； 其中 B 为式 II 的分子： Wc 是芳基、杂芳基、杂环烷基或环烷基； q 是 0 或 1 的整数； R1 是氢、烷基或卤素； R2 是烷基或卤代 R3 是卤代物；以及 R9 是烷基或杂环烷基； 以及一种或多种适合口服的药学上可接受的赋形剂。药物组合物可含有有效量的第二种药剂，如化疗药，如蛋白酶体抑制剂、烷化剂或治疗性抗体。