4,5-dichloro-2-(2-morpholinoethyl)pyridazin-3(2H)-one | 100563-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,5-dichloro-2-(2-morpholinoethyl)pyridazin-3(2H)-one
• 英文别名: 4,5-dichloro-2-(2-morpholin-4-yl-ethyl)-2H-pyridazin-3-one；4,5-Dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
• CAS: 100563-02-8
• 化学式: C₁₀H₁₃Cl₂N₃O₂
• mdl: MFCD11108310
• 分子量: 278.138
• InChiKey: BEWINPVSLXOAQS-UHFFFAOYSA-N

物化性质

• 沸点：
  359.6±52.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  45.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-dichloro-2-(2-morpholinoethyl)pyridazin-3(2H)-one 在 ammonium molybdate 氢氧化钾 、 sodium hydroxide 、 双氧水 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 1.83h， 生成 3-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-4-one
  参考文献：
  名称：

  Vittorio; Pappalardo; Ronsisvalle, Il Farmaco, 1994, vol. 49, # 4, p. 237 - 244

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 4,5-二氯-3-羟基哒嗪 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 4,5-dichloro-2-(2-morpholinoethyl)pyridazin-3(2H)-one
  参考文献：
  名称：

  Pappalardo; Vittorio; Duro, Farmaco, Edizione Scientifica, 1977, vol. 32, # 11, p. 780 - 788

  摘要：

  DOI：

文献信息

• [EN] 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS<br/>[FR] PYRAZOLES 3,4-DISUBSTITUTES SERVANT D'INHIBITEURS DE KINASES CYCLINES DEPENDANTES (CDK), OU DE KINASES AURORA OU DE GLYCOGENE SYNTASES 3 (GSK-3)
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2006003440A1

  公开（公告）日：2006-01-12

  The invention provides compounds of the formula (I); or salts or solvates or N-oxides thereof; wherein: Rq is selected from groups (a), (b) and (c); the asterisk denoting the point of attachment to the pyrazole ring; X is N or CR5; X' is NR4', O, S or S(O); A is a bond or -(CH2)m-(B)n-; B is C=O, NRg(C=O) or O(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; m is 0, 1 or 2; n is 0 or 1; R0 is hydrogen or, together with NRg when present, forms a group -(CH2)p- wherein p is 2 to 4; and R1 to R6b are as defined in the description. Compounds of the formula (I) have activity as inhibitors of CDK, aurora and GSK-3 kinases are useful in treating or preventing diseases such as cancers that are mediated by the said kinases.

  本发明提供式(I)的化合物；或其盐、溶剂化物或N-氧化物；其中：Rq选自基团(a)、(b)和(c)；星号表示与吡唑环的连接点；X为N或CR5；X'为NR4'、O、S或S(O)；A为键或-(CH2)m-(B)n-；B为C=O、NRg(C=O)或O(C=O)，其中Rg为氢或C1-4烃基，可选择性地被羟基或C1-4烷氧基取代；m为0、1或2；n为0或1；R0为氢，或与存在的NRg一起形成基团-(CH2)p-，其中p为2至4；R1至R6b如说明书中所定义。式(I)的化合物作为CDK、aurora和GSK-3激酶的抑制剂，对于治疗或预防由所述激酶介导的疾病，如癌症，具有用途。
• 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors
  申请人：Gill Liam Adrian

  公开号：US20080004270A1

  公开（公告）日：2008-01-03

  The invention provides compounds of the formula (I); or salts or solvates or N-oxides thereof; wherein: R q is selected from groups (a), (b) and (c); the asterisk denoting the point of attachment to the pyrazole ring; X is N or CR 5 ; X″ is NR 4 ; O, S or S(O); A is a bond or —(CH 2 ) m —(B) n —; B is C═O, NR g (C═O) or O(C═O) wherein R g is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; m is 0, 1 or 2; n is 0 or 1; R 0 is hydrogen or, together with NR g when present, forms a group —(CH 2 ) p — wherein p is 2 to 4; and R 1 to R 6b are as defined in the description. Compounds of the formula (I) have activity as inhibitors of CDK, aurora and GSK-3 kinases are useful in treating or preventing diseases such as cancers that are mediated by the said kinases.

  本发明提供了式（I）的化合物；或其盐、溶剂或N-氧化物；其中：Rq选择自组（a）、（b）和（c）；星号表示与吡唑环的连接点；X为N或CR5；X″为NR4；O、S或S（O）；A为键或—（CH2）m—（B）n—；B为C═O、NRg（C═O）或O（C═O），其中Rg为氢或C1-4烃基，可选地被羟基或C1-4烷氧基取代；m为0、1或2；n为0或1；R0为氢或与NRg一起，形成—（CH2）p—基团，其中p为2至4；R1至R6如描述中所定义。式（I）的化合物具有作为CDK、极光激酶和GSK-3激酶抑制剂的活性，可用于治疗或预防由该激酶介导的癌症等疾病。
• 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS
  申请人：Astex Therapeutics Limited

  公开号：EP1781653A1

  公开（公告）日：2007-05-09
• Vittorio; Pappalardo; Ronsisvalle, Il Farmaco, 1994, vol. 49, # 4, p. 237 - 244
  作者：Vittorio、Pappalardo、Ronsisvalle、Caruso、Cutuli、Amico-Roxas

  DOI：——

  日期：——
• Pappalardo; Vittorio; Duro, Farmaco, Edizione Scientifica, 1977, vol. 32, # 11, p. 780 - 788
  作者：Pappalardo、Vittorio、Duro

  DOI：——

  日期：——