(2-(4-ethylpiperazin-1-yl)-5-nitrophenyl)methanol | 1039881-87-2

• 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: (2-(4-ethylpiperazin-1-yl)-5-nitrophenyl)methanol
• 英文别名: [5-nitro-2-(4-ethylpiperazin-1-yl)phenyl]methanol；[2-(4-ethylpiperazin-1-yl)-5-nitrophenyl]methanol
• CAS: 1039881-87-2
• 化学式: C₁₃H₁₉N₃O₃
• 分子量: 265.312
• InChiKey: GDDIUVGMPVNNNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-(4-ethylpiperazin-1-yl)-5-nitrophenyl)methanol 在 palladium 10% on activated carbon 、 氢气 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 16.5h， 生成 3-(2-chlorophenyl)-7-((4-(4-ethylpiperazin-1-yl)-3-(hydroxymethyl)phenyl)amino)-1-methyl-2,3-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS
  [FR] PYRIMIDOPYRIMIDINONES UTILES COMME INHIBITEURS DE LA WEE-1 KINASE

  摘要：

  本发明涉及一类可用作Wee-1激酶活性抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗癌症的方法和治疗癌症的方法。

  公开号：

  WO2015092431A1
• 作为产物：
  描述：

  2-氟-5-硝基苯甲醛 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 (2-(4-ethylpiperazin-1-yl)-5-nitrophenyl)methanol
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS
  [FR] PYRIMIDOPYRIMIDINONES UTILES COMME INHIBITEURS DE LA WEE-1 KINASE

  摘要：

  本发明涉及一类可用作Wee-1激酶活性抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗癌症的方法和治疗癌症的方法。

  公开号：

  WO2015092431A1

文献信息

• Dihydropyrazolopyrimidinone derivatives
  申请人：Sagara Takeshi

  公开号：US20070254892A1

  公开（公告）日：2007-11-01

  The invention relates to compounds of a general formula (I): wherein Ar 1 is an optionally-substituted aryl or heteroaromatic group; R 1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 3 is a hydrogen atom or a lower alkyl group; R 4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R 1k )R 1m ; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  该发明涉及一般式（I）的化合物，其中Ar1是可选择取代的芳基或杂环芳基；R1是可选择取代的较低烷基、较低烯烃基、较低炔烃基或环状较低烷基基团，或是具有取代基的芳基、芳基烷基或杂环芳基；R2是氢原子、较低烷基基团、较低烯烃基团或较低炔烃基团，或是具有取代基的芳基、芳基烷基或杂环芳基；R3是氢原子或较低烷基基团；R4是氢原子、卤素原子、羟基、较低烷基基团或—N(R1k)R1m基团；T和U是氮原子或亚甲基基团等。该发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域中特别适用于治疗各种癌症。
• DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES
  申请人：Sagara Takeshi

  公开号：US20110189130A1

  公开（公告）日：2011-08-04

  The invention relates to compounds of a general formula (I): wherein Ar 1 is an optionally-substituted aryl or heteroaromatic group; R 1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 3 is a hydrogen atom or a lower alkyl group; R 4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R 1k )R 1m ; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及一般式(I)的化合物：其中Ar1是可选取代的芳基或杂环芳基基团；R1是可选取代的低碳基、低烯基、低炔基或环-低碳基基团，或是带有取代基的芳基、芳基烷基或杂环芳基基团；R2是氢原子、低碳基、低烯基或低炔基，或是带有取代基的芳基、芳基烷基或杂环芳基基团；R3是氢原子或低碳基；R4是氢原子、卤素原子、羟基、低碳基或—N(R1k)R1m基团；T和U是氮原子或甲基基团等。该发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域，特别是治疗各种癌症方面非常有用。
• Dihydropyrazolopyrimidinone Derivatives
  申请人：Sakamoto Toshihiro

  公开号：US20100063024A1

  公开（公告）日：2010-03-11

  The invention relates to compounds of a general formula (I): wherein Ar 1 is an optionally-substituted aryl or heteroaromatic group; R 1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 3 is a hydrogen atom or a lower alkyl group; R 4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R 1k )R 1m ; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及一般式（I）的化合物：其中Ar1是可选取取代基的芳基或杂环芳基基团；R1是可选取取代基的低碳基、低烯基、低炔基或环低碳基基团，或是带取代基的芳基、芳基烷基或杂环芳基基团；R2是氢原子、低碳基、低烯基或低炔基，或是带取代基的芳基、芳基烷基或杂环芳基基团；R3是氢原子或低碳基；R4是氢原子、卤素原子、羟基、低碳基或-N（R1k）R1m基团；T和U是氮原子或甲基烷基等。本发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域中特别适用于治疗各种癌症。
• Substituted pyrazolo[3,4-d]pyrimidinone derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07834019B2

  公开（公告）日：2010-11-16

  The invention relates to compounds of a general formula (I): wherein Ar1 is an optionally-substituted aryl or heteroaromatic group; R1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R3 is a hydrogen atom or a lower alkyl group; R4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R1k)R1m; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及一般式（I）的化合物：其中Ar1是可选取代的芳基或杂芳基基团；R1是可选取代的低烷基、低烯基、低炔基或环低烷基基团，或是一个芳基、芳基烷基或可选带有取代基的杂芳基基团；R2是氢原子、低烷基、低烯基或低炔基，或是一个芳基、芳基烷基或可选带有取代基的杂芳基基团；R3是氢原子或低烷基；R4是氢原子、卤素原子、羟基、低烷基或—N（R1k）R1m的基团；T和U是氮原子或甲基基团等。本发明的化合物具有优异的Weel激酶抑制作用，因此在药物领域，特别是治疗各种癌症方面具有用途。
• Pyridone-substituted-dihydropyrazolopyrimidinone derivative
  申请人：MSD K.K.

  公开号：US08329711B2

  公开（公告）日：2012-12-11

  The invention relates to compounds of general formula (I-0): wherein R1, R2, R3, R4, R5, R6, R7a, R8a, X, and Y are as defined herein. Compounds of the invention have, based on excellent Wee1 kinase-inhibitory effect, a cell growth-inhibitory effect and an additive/synergistic effect with any other anticancer agent, and are therefore useful in the field of medicine.

  本发明涉及一般式(I-0)的化合物：其中R1、R2、R3、R4、R5、R6、R7a、R8a、X和Y如此定义。本发明的化合物具有优异的Wee1激酶抑制作用，细胞生长抑制作用，并与任何其他抗癌剂具有加成/协同效应，因此在医学领域中有用。