6-{[(1R)-2-methyl-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one | 1058125-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-{[(1R)-2-methyl-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one
• 英文别名: 6-{[(1R)-2-methyl-1-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one；6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
• CAS: 1058125-08-8
• 化学式: C₁₆H₁₅F₃N₄O
• 分子量: 336.317
• InChiKey: DBPPYNQBKGUMSZ-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-{[(1R)-2-methyl-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one 在 间氯过氧苯甲酸 、 碳酸氢钠 、 sodium thiosulfate 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 6-{[(1R)-2-methyl-1-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one
  参考文献：
  名称：

  WO2008/112217

  摘要：

  公开号：
• 作为产物：
  描述：

  1,6-dichloro-9-fluorobenzo[c]-1,6-naphthyridine 在 tris-(dibenzylideneacetone)dipalladium(0) 氢氧化钾 、 1-[2'-(di-tert-butylphosphino)-2,6-diisopropylbiphenyl-4-yl]ethyl 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 1.0h， 生成 6-{[(1R)-2-methyl-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one
  参考文献：
  名称：

  WO2008/112217

  摘要：

  公开号：

文献信息

• INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1
  申请人：Siu Tony

  公开号：US20100160309A1

  公开（公告）日：2010-06-24

  The instant invention provides for compounds that inhibit JAK2 tyrosine kinase and/or PDK1. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting JAK2 tyrosine kinase activity and/or PDK1 kinase inhibitory activity by administering the compound to a patient in need of treatment or prevention of myeloproliferative disorders or cancer.

  本发明提供了抑制JAK2酪氨酸激酶和/或PDK1的化合物。本发明还提供了包含这些抑制化合物的组合物，并通过将该化合物给予需要治疗或预防骨髓增生性疾病或癌症的患者来抑制JAK2酪氨酸激酶活性和/或PDK1激酶抑制活性的方法。
• Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08329722B2

  公开（公告）日：2012-12-11

  The instant invention provides for compounds that inhibit JAK2 tyrosine kinase and/or PDK1. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting JAK2 tyrosine kinase activity and/or PDK1 kinase inhibitory activity by administering the compound to a patient in need of treatment or prevention of myeloproliferative disorders or cancer.

  本发明提供了抑制JAK2酪氨酸激酶和/或PDK1的化合物。本发明还提供了包含这种抑制剂化合物的组合物，并通过向需要治疗或预防骨髓增生性疾病或癌症的患者施用该化合物来抑制JAK2酪氨酸激酶活性和/或PDK1激酶抑制活性的方法。
• The discovery of tricyclic pyridone JAK2 inhibitors. Part 1: Hit to lead
  作者：Tony Siu、Ekaterina S. Kozina、Joon Jung、Craig Rosenstein、Anjili Mathur、Michael D. Altman、Grace Chan、Lin Xu、Eric Bachman、Jan-Rung Mo、Melaney Bouthillette、Thomas Rush、Christopher J. Dinsmore、C. Gary Marshall、Jonathan R. Young

  DOI：10.1016/j.bmcl.2010.10.031

  日期：2010.12

  This paper describes the discovery and design of a novel class of JAK2 inhibitors. Furthermore, we detail the optimization of a screening hit using ligand binding efficiency and log D. These efforts led to the identification of compound 41, which demonstrates in vivo activity in our study. (C) 2010 Elsevier Ltd. All rights reserved.
• 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.
• US8329722B2
  申请人：——

  公开号：US8329722B2

  公开（公告）日：2012-12-11