6-(2-phenylethynyl)-2-propan-2-ylpyridazin-3-one | 524919-41-3

• 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: 6-(2-phenylethynyl)-2-propan-2-ylpyridazin-3-one
• CAS: 524919-41-3
• 化学式: C₁₁H₁₃N₄Pol
• InChiKey: HJADGCWTRKFWIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(2-phenylethynyl)-2-propan-2-ylpyridazin-3-one 在 palladium dichloride 二甲基亚砜 作用下， 反应 3.0h， 生成 1-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-2-phenyl-1,2-ethanedione
  参考文献：
  名称：

  Pyrazine derivatives and pharmaceutical use thereof

  摘要：

  以下是公式（I）的吡嗪衍生物： 其中 R 1 为氢或可选择取代的较低烷基；X为氢、卤素、羟基、氰基、酰基、氨基、芳基、杂环基或类似基团；Y为氢、卤素、羟基、酰基、氨基或类似基团；Z为芳基或杂环芳基，每个都可选择取代；或其盐。本发明的吡嗪化合物（I）及其盐是腺苷拮抗剂，可用于预防和/或治疗抑郁症、痴呆症（如阿尔茨海默病、脑血管性痴呆、帕金森病伴随的痴呆等）、帕金森病、焦虑症、疼痛、脑血管疾病（如中风等）、心力衰竭等。

  公开号：

  US20050222159A1
• 作为产物：
  描述：

  6-(phenylethynyl)-3(2H)-pyridazinone 、 sodium;hydride 、 2-碘代丙烷 在 水 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 N,N-二甲基甲酰胺 、 乙酸乙酯 为溶剂， 反应 3.5h， 以to give 2-isopropyl-6-(phenylethynyl)-3(2H)-pyridazinone as a solid (93 mg)的产率得到6-(2-phenylethynyl)-2-propan-2-ylpyridazin-3-one
  参考文献：
  名称：

  Thiazole derivative and pharmaceutical use thereof

  摘要：

  一种公式为(I)的噻唑衍生物，其中R是1-可选取代的6-氧代-1,6-二氢-3-吡啶基，R'是可选取代的苯基，而R2是氢，公式(i)的基团：其中R4是氢、较低的烷基或较低的烯基，而R5是氢、可选取代的较低烷基、酰基、环(较低)烷基、较低烯基、可选取代的芳基或杂环基，或公式(ii)的基团：其中X是氧或硫，R8是氢或较低的烷基，R9是氢、可选取代的较低烷基、环(较低)烷基、较低烷氧基或单-或双-较低烷基氨基，或R8和R9可以结合形成可选取代的饱和含氮杂环，或其盐。

  公开号：

  US20050004134A1

文献信息

• Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：Tsutsumi Hideo

  公开号：US20050043315A1

  公开（公告）日：2005-02-24

  An aminopyrimidine compound of the following formula (I) wherein Q is (a) or (b) in which R and R′ are each optionally substituted aryl or heterocyclic group,R 5 is hydrogen, halogen, lower alkyl,optionally substituted hydroxy, optionally substituted amino which may form N-containing heterocyclic group, optionally substituted mercapto, lower alkylsulfinyl or lower alkylsulfonyl, and X is oxygen or sulfur; R 1 is hydrogen, optionally substituted lower alkyl or cyclo(lower) alkyl which may be interrupted by an oxygen atom; R 2 and R 3 are each independently hydrogen, lower alkyl, acyl, aryl or heterocyclic(lower)alkyl, R 2 and R 3 may be combined together with N atom to which they are attached to form N-containing heterocyclic group; or a salt thereof. The aminopyrimidine compound (I) and salt thereof of the present invention are adenosine antagonists and are useful for the prevention and/or treatment of depression, dementia (e.g. Alzheimer's disease, cerebrovascular dementia, dementia accompanying Parkinson's disease, etc.), Parkinson's disease, anxiety, pain, cerebrovascular disease (e.g. stroke, etc.), heart failure and the like.

  以下式子（I）的氨基嘧啶化合物，其中Q为（a）或（b），其中R和R'分别为可选取代芳基或杂环基，R5为氢，卤素，低级烷基，可选取代羟基，可选取代氨基（可形成含N杂环基），可选取代巯基，低级烷基磺酰基或低级烷基磺基，X为氧或硫；R1为氢，可选取代低级烷基或环（低级）烷基，其可被氧原子打断；R2和R3分别为氢、低级烷基、酰基、芳基或杂环（低级）烷基，R2和R3可以与它们附着的N原子结合形成含N杂环基；或其盐。本发明的氨基嘧啶化合物（I）及其盐是腺苷受体拮抗剂，可用于预防和/或治疗抑郁症、痴呆症（例如阿尔茨海默病、脑血管痴呆、帕金森病伴随的痴呆等）、帕金森病、焦虑症、疼痛、脑血管疾病（例如中风等）、心力衰竭等。
• THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1441732A2

  公开（公告）日：2004-08-04
• US7265120B2
  申请人：——

  公开号：US7265120B2

  公开（公告）日：2007-09-04
• [EN] AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] COMPOSES AMINOPYRIMIDINE, PROCEDES DE PREPARATION DE CES COMPOSES ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003057689A1

  公开（公告）日：2003-07-17

  An aminopyrimidine compound of the following formula (I). wherein Q is (a) or (b) in which R and R' are each optionally substituted aryl or heterocyclic group,R5 is hydrogen, halogen, lower alkyl,optionally substituted hydroxy, optionally substituted amino which may form N-containing heterocyclic group, optionally substituted mercapto, lower alkylsulfinyl or lower alkylsulfonyl, and X is oxygen or sulfur; R1 is hydrogen, optionally substituted lower alkyl or cyclo (lower) alkyl which may be interrupted by an oxygen atom; R2 and R3 are each independently hydrogen, lower alkyl, acyl, aryl or heterocyclic(lower)alkyl, R2 and R3 may be combined together with N atom to which they are attached to form N-containing heterocyclic group; or a salt thereof. The aminopyrimidine compound (I) and salt thereof of the present invention are adenosine antagonists and are useful for the prevention and/or treatment of depression, dementia (e.g. Alzheimer's disease, cerebrovascular dementia, dementia accompanying Parkinson's disease, etc.), Parkinson's disease, anxiety, pain, cerebrovascular disease (e.g. stroke, etc.), heart failure and the like.
• [EN] THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF<br/>[FR] DERIVE DE THIAZOLE ET UTILISATION PHARMACEUTIQUE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003039451A2

  公开（公告）日：2003-05-15

  A thiazole derivative of the formula (I):wherein R is 1-optiona lly substituted-6-oxo-1,6-dihydro-3-pyridazinyl, R' is an optionally substituted phenyl, and R2 is hydrogen, a group of the formula (i): wherein R4 is hydrogen, lower alkyl or lower alkenyl, and R5 is hydrogen, optionally substituted lower alkyl, acyl, cyclo(lower)alkyl, lower alkenyl, optionally substituted aryl or heterocyclic, or a group of the formula (ii): wherein X is oxygen or sulfur, R8 is hydrogen or lower alkyl, R9 is hydrogen, optionally substituted lower alkyl, cyclo(lower)alkyl, lower alkoxy or mono- or di-lower alkylamino or R?8 and R9¿ may be combine together to form optionally substituted saturated N-containing heterocyclic, or a salt thereof._The compounds are useful as Adenosine antagonists. The application also discloses an improved process for the preparation of pyridazinones (XII-1)