3-(1,4-oxazepan-4-yl)propan-1-ol | 19344-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: 3-(1,4-oxazepan-4-yl)propan-1-ol
• CAS: 19344-57-1
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: JEZVOSAHGZYHNO-UHFFFAOYSA-N

物化性质

• 沸点：
  272.0±30.0 °C(Predicted)
• 密度：
  1.008±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 3-(1,4-oxazepan-4-yl)propan-1-ol 、 氰化锌 生成 5-(7-(3-(1,4-Oxazepan-4-yl)propoxy)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)picolinonitrile
  参考文献：
  名称：

  Cyanopyridyl containing 1,4-dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: Improving oral biovailability

  摘要：

  A series of 1,4-dihydroindeno[1,2-c]pyrazole compounds with a cyanopyridine moiety at the 3-position of the tricyclic pyrazole core was explored as potent CHK-1 inhibitors. The impact of substitutions at the 6 and/or 7-position of the core on pharmacokinetic properties was studied in detail. Compounds carrying a side chain with an ether linker at the 7-position and a terminal morpholino group, such as 29 and 30, exhibited much-improved oral biovailability in mice as compared to earlier generation inhibitors. These compounds also possessed desirable cellular activity in potentiating doxorubicin and will serve as valuable tool compounds for in vivo evaluation of CHK-1 inhibitors to sensitize DNA-damaging agents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.069
• 作为产物：
  描述：

  1,4-噁氮杂烷 、 3-溴-1-丙醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以0.272 g的产率得到3-(1,4-oxazepan-4-yl)propan-1-ol
  参考文献：
  名称：

  [EN] KRAS G12C INHIBITORS
  [FR] INHIBITEURS DE KRAS G12C

  摘要：

  本发明涉及抑制KRas G12C的化合物。特别是，本发明涉及不可逆地抑制KRas G12C活性的化合物，包括含有这些化合物的药物组合物及其用途方法。

  公开号：

  WO2020146613A1

文献信息

• KRAS G12C INHIBITORS
  申请人：Mirati Therapeutics, Inc.

  公开号：US20190144444A1

  公开（公告）日：2019-05-16

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12C的化合物。特别地，本发明涉及不可逆抑制KRas G12C活性的化合物、包含这些化合物的药物组合物及其使用方法。
• KRas G12C inhibitors
  申请人：Mirati Therapeutics, Inc.

  公开号：US10125134B2

  公开（公告）日：2018-11-13

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制 KRas G12C 的化合物。特别是，本发明涉及不可逆地抑制 KRas G12C 活性的化合物、包含该化合物的药物组合物及其使用方法。
• KRAS G12C inhibitors
  申请人：Mirati Therapeutics, Inc.

  公开号：US11267812B2

  公开（公告）日：2022-03-08

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制 KRas G12C 的化合物。特别是，本发明涉及不可逆地抑制 KRas G12C 活性的化合物、包含该化合物的药物组合物及其使用方法。
• [EN] KRAS G12C INHIBITOR AND APPLICATION THEREOF<br/>[FR] INHIBITEUR DE KRAS G12C ET APPLICATION ASSOCIÉE<br/>[ZH] KRAS G12C抑制剂及其应用
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD

  公开号：WO2021063346A1

  公开（公告）日：2021-04-08

  一种新型的KRAS G12C抑制剂，如式（I）所示化合物、其异构体或药学上可接受的盐具有如下结构。如式（I）所示化合物及其组合物可以有效治疗与KRAS G12C相关的疾病，例如：癌症。
• [EN] COMBINATION THERAPIES<br/>[FR] POLYTHÉRAPIES
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2020055755A1

  公开（公告）日：2020-03-19

  The present invention relates to combination therapies for treating KRas G12C cancers. In particular, the present invention relates to methods of treating cancer in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a combination of a Src-family kinase inhibitor and a KRAS G12C inhibitor of Formula (I), Formula I-A or Formula I-B, pharmaceutical compositions comprising a therapeutically effective amounts of the inhibitors, kits comprising the compositions and methods of use therefor.