2-[(1S)-2-amino-1-(3-fluorobenzyl)ethyl]-5-(1-methyl-1H-pyrazol-5-yl)isoindolin-1-one | 1430056-39-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[(1S)-2-amino-1-(3-fluorobenzyl)ethyl]-5-(1-methyl-1H-pyrazol-5-yl)isoindolin-1-one
• 英文别名: 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
• CAS: 1430056-39-5
• 化学式: C₂₁H₂₁FN₄O
• 分子量: 364.422
• InChiKey: UDSASZRBGNOQJV-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-(1-(1,3-二氧代异吲哚啉-2-基)-3-(3-氟苯基)丙烷-2-基)氨基甲酸叔丁酯 在 盐酸 、 bis(tri-tert-butylphosphine)palladium(0) 、 N,N-二异丙基乙胺 、 肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 正丁醇 为溶剂， 反应 6.25h， 生成 2-[(1S)-2-amino-1-(3-fluorobenzyl)ethyl]-5-(1-methyl-1H-pyrazol-5-yl)isoindolin-1-one
  参考文献：
  名称：

  ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS

  摘要：

  本发明提供了异吲哚酮和吡咯吡啶酮衍生物，以及它们的组合物和使用方法，这些衍生物抑制丝氨酸/苏氨酸激酶Akt的活性，对于治疗与Akt活性相关的疾病，例如癌症和其他疾病，具有益处。

  公开号：

  US20130096144A1

文献信息

• Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors
  申请人：Incyte Corporation

  公开号：US08895571B2

  公开（公告）日：2014-11-25

  The present invention provides isoindolinone and pyrrolopyridinone derivatives, as well as their compositions and methods of use, that inhibit the activity of the serine/threonine kinase, Akt, and are useful in the treatment of diseases related to the activity of Akt including, for example, cancer and other diseases.

  本发明提供了异吲哚酮和吡咯吡啶酮衍生物，以及它们的组合物和使用方法，可以抑制丝氨酸/苏氨酸激酶Akt的活性，并且在治疗与Akt活性相关的疾病，例如癌症和其他疾病方面是有用的。
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.
• Phosphatase Binding Compounds and Methods of Using Same
  申请人：Yale University

  公开号：US20200268897A1

  公开（公告）日：2020-08-27

  The present invention provides bifunctional compounds that efficiently dephosphorylate certain phospho-activated target proteins. Such target proteins can be any protein involved in the pathway of a disease or disorder, such as but not limited to cancer, neurodegeneration, metabolic disease, diabetes, insulin resistance, and so forth.
• US8895571B2
  申请人：——

  公开号：US8895571B2

  公开（公告）日：2014-11-25
• [EN] ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS<br/>[FR] DÉRIVÉS D'ISOINDOLINONE ET DE PYRROLOPYRIDINONE EN TANT QU'INHIBITEURS D'AKT
  申请人：INCYTE CORP

  公开号：WO2013056015A1

  公开（公告）日：2013-04-18

  The present invention provides isoindolinone and pyrrolopyridinone derivatives, as well as their compositions and methods of use, that inhibit the activity of the serine/threonine kinase, Akt, and are useful in the treatment of diseases related to the activity of Akt including, for example, cancer and other diseases.