1-(3-methoxy-5-nitrophenyl)-4-methylpiperazine | 1254058-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(3-methoxy-5-nitrophenyl)-4-methylpiperazine
• CAS: 1254058-71-3
• 化学式: C₁₂H₁₇N₃O₃
• 分子量: 251.285
• InChiKey: YEFWRADOXWKGJF-UHFFFAOYSA-N

物化性质

• 沸点：
  409.7±45.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-methoxy-5-nitrophenyl)-4-methylpiperazine 在 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以68%的产率得到3-methoxy-5-(4-methylpiperazin-1-yl)aniline
  参考文献：
  名称：

  吡唑[3,4-d]嘧啶-3-酮的大环衍生物、其药物组合物及应用

  摘要：

  本发明涉及一种如式(I)所示的吡唑[3,4‑d]嘧啶‑3‑酮的大环衍生物和/或其药学上可接受的盐，以及含有如式(I)所示化合物的组合物和/或其药学上可接受的盐，制备方法和其作为Wee1抑制剂的用途及其作为癌症的化学疗法或放射性疗法的增敏剂中的用途；本发明的吡唑[3,4‑d]嘧啶‑3‑酮的大环衍生物可以有效的抑制Wee1及相关信号通路，具有良好的治疗和/或缓解癌症的作用。

  公开号：

  CN108623615B
• 作为产物：
  描述：

  N-甲基哌嗪 、 1-溴-3-甲氧基-5-硝基苯 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以1.15 g的产率得到1-(3-methoxy-5-nitrophenyl)-4-methylpiperazine
  参考文献：
  名称：

  吡唑[3,4-d]嘧啶-3-酮的大环衍生物、其药物组合物及应用

  摘要：

  本发明涉及一种如式(I)所示的吡唑[3,4‑d]嘧啶‑3‑酮的大环衍生物和/或其药学上可接受的盐，以及含有如式(I)所示化合物的组合物和/或其药学上可接受的盐，制备方法和其作为Wee1抑制剂的用途及其作为癌症的化学疗法或放射性疗法的增敏剂中的用途；本发明的吡唑[3,4‑d]嘧啶‑3‑酮的大环衍生物可以有效的抑制Wee1及相关信号通路，具有良好的治疗和/或缓解癌症的作用。

  公开号：

  CN108623615B

文献信息

• DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND
  申请人：Shimada Itsuro

  公开号：US20120040968A1

  公开（公告）日：2012-02-16

  Provided is a compound useful as an inhibitor against the kinase activity of EML4-ALK fusion protein. As a result of intensive and extensive studies on compounds having inhibitory activity against the kinase activity of EML4-ALK fusion protein, the present inventors found that the diamino heterocyclic carboxamide compounds of the present invention had inhibitory activity against the kinase activity of EML4-ALK fusion protein. By this finding, the present invention was completed. The compounds of the present invention can be used as a pharmaceutical composition for preventing and/or treating cancer, such as lung cancer, non-small cell lung cancer, and small cell lung cancer.

  提供的是一种化合物，可作为抑制EML4-ALK融合蛋白激酶活性的抑制剂。通过对具有抑制EML4-ALK融合蛋白激酶活性的化合物进行深入广泛的研究，本发明人发现本发明的二氨基杂环羧酰胺化合物对EML4-ALK融合蛋白激酶活性具有抑制作用。通过这一发现，完成了本发明。本发明的化合物可用作预防和/或治疗癌症，如肺癌、非小细胞肺癌和小细胞肺癌的药物组合物。
• Diamino heterocyclic carboxamide compound
  申请人：Shimada Itsuro

  公开号：US08969336B2

  公开（公告）日：2015-03-03

  Provided is a compound useful as an inhibitor against the kinase activity of EML4-ALK fusion protein. As a result of intensive and extensive studies on compounds having inhibitory activity against the kinase activity of EML4-ALK fusion protein, the present inventors found that the diamino heterocyclic carboxamide compounds of the present invention had inhibitory activity against the kinase activity of EML4-ALK fusion protein. By this finding, the present invention was completed. The compounds of the present invention can be used as a pharmaceutical composition for preventing and/or treating cancer, such as lung cancer, non-small cell lung cancer, and small cell lung cancer.

  提供的是一种化合物，可作为抑制EML4-ALK融合蛋白激酶活性的抑制剂。通过对具有抑制EML4-ALK融合蛋白激酶活性的化合物进行深入和广泛的研究，本发明人发现本发明的二氨基杂环羧酰胺化合物具有抑制EML4-ALK融合蛋白激酶活性的作用。通过这一发现，本发明得以完成。本发明的化合物可用作预防和/或治疗癌症，如肺癌、非小细胞肺癌和小细胞肺癌的药物组合物。
• Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof
  申请人：SHANGHAI DE NOVO PHARMATECH CO., LTD.

  公开号：US11248006B2

  公开（公告）日：2022-02-15

  A macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one as represented by formula (I) and/or a pharmaceutically acceptable salt thereof, a composition comprising the compound as represented by formula (I) and/or a pharmaceutically acceptable salt thereof, a preparation method therefor, use thereof as a Wee1 inhibitor and use thereof as a sensitizer in chemotherapy or a radiotherapy of cancers. The macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one can effectively inhibit Wee1 and relating signaling pathways, having good therapeutic and relieving effects on cancers.

  一种由式(I)代表的吡唑并[3,4-d]嘧啶-3-酮的大环衍生物和/或其药学上可接受的盐、一种由式(I)代表的化合物和/或其药学上可接受的盐组成的组合物、其制备方法、其作为Wee1抑制剂的用途以及其在癌症化疗或放疗中作为增敏剂的用途。吡唑并[3,4-d]嘧啶-3-酮的大环衍生物能有效抑制Wee1及相关信号通路，对癌症具有良好的治疗和缓解作用。
• Structure-activity relationship of 7-aryl-2-anilino-pyrrolopyrimidines as Mer and Axl tyrosine kinase inhibitors
  作者：Shin Hyuck Chung、Jiwon Park、Jung Wuk Lee、Jiho Song、Danbee Jung、Kyung Hoon Min

  DOI：10.1080/14756366.2020.1825407

  日期：2020.1.1

  The TAM (Axl, Mer, and Tyro3) family is implicated in the survival and chemoresistance of tumours and has emerged as a potential therapeutic target. A novel series of 7-aryl-2-anilino-pyrrolopyrimidines were identified as potent Axl/Mer tyrosine kinase inhibitors without significant inhibition of Tyro3. A representative compound27exhibited IC(50)values of 2 nM and 16 nM for Mer and Axl, respectively, and considerable inhibition for Mer phosphorylation in cells. Docking studies suggested that the formation of a salt bridge between the nitrogen of the aniline moiety with ASP678 of the Mer kinase domain as well as an interaction with the hinge region that most kinase inhibitors have in common would be essential to retain activity. These results could provide useful information for finding promising inhibitors of Axl/Mer for the treatment of cancer.
• MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO., LTD.

  公开号：US20200377520A1

  公开（公告）日：2020-12-03

  A macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one as represented by formula (I) and/or a pharmaceutically acceptable salt thereof, a composition comprising the compound as represented by formula (I) and/or a pharmaceutically acceptable salt thereof, a preparation method therefor, use thereof as a Wee1 inhibitor and use thereof as a sensitizer in chemotherapy or a radiotherapy of cancers. The macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one can effectively inhibit Wee1 and relating signaling pathways, having good therapeutic and relieving effects on cancers.