6-ethynyl-2-isopropyl-3(2H)-pyridazinone | 487063-15-0

• 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-ethynyl-2-isopropyl-3(2H)-pyridazinone
• 英文别名: 6-ethynyl-2-propan-2-ylpyridazin-3-one
• CAS: 487063-15-0
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: DXNBBCSOJJUVJX-UHFFFAOYSA-N

物化性质

• 沸点：
  243.1±23.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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-ethynyl-2-isopropyl-3(2H)-pyridazinone 、 邻碘溴苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 6-[(2-bromophenyl)ethynyl]-2-isopropyl-3(2H)-pyridazinone
  参考文献：
  名称：

  [EN] PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS
  [FR] COMPOSE DE PYRIDAZINONE ET SON UTILISATION PHARMACEUTIQUE

  摘要：

  公开号：

  WO2004022540A3
• 作为产物：
  描述：

  2-isopropyl-6-[(trimethylsilyl)ethynyl]-3(2H)-pyridazinone 、 sodium hydroxide 、 盐酸 在 苄基三乙基氯化铵 ice 、 氯仿 、 magnesium sulfate 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.5h， 以to give 6-ethynyl-2-isopropyl-3(2H)-pyridazinone as a solid(10.42 g)的产率得到6-ethynyl-2-isopropyl-3(2H)-pyridazinone
  参考文献：
  名称：

  Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them

  摘要：

  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。

  公开号：

  US20050043315A1

文献信息

• Pyridazinone compound and pharmaceutical use thereof
  申请人：Fujisawa Pharmaceutical Co. Ltd.

  公开号：US20040067955A1

  公开（公告）日：2004-04-08

  A pyridazinone or pyridone compound of the following formula (I). 1 wherein X is 2 Y is N or CH or a salt thereof. The pyridazinone or pyridone compound (I) and a 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.

  以下是化学式（I）的吡啶并嗪酮或吡啶酮化合物： 其中，X为2，Y为N或CH，或其盐。 本发明的吡啶并嗪酮或吡啶酮化合物（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（例如阿尔茨海默病、脑血管性痴呆、帕金森病相关的痴呆等）、帕金森病、焦虑症、疼痛、脑血管疾病（例如中风等）、心力衰竭等。
• 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
• [EN] PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS<br/>[FR] COMPOSES DE PYRIDAZINONE UTILES COMME ANTAGONISTES DE L'ADENOSINE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003004494A1

  公开（公告）日：2003-01-16

  A compound of the following formula (I): wherein R?1, R2, R3 and R4¿ are each independently hydrogen or a suitable substituent, in which R?1 and R2¿ together or R?2 and R3¿ together may form -(CH¿2?)n- (wherein n is an integer of 1 to 12) which is optionally interrupted by heteroatom(s) and optionally having suitable substituent(s); andW is , or ,or a salt thereof.The compound of the above formula (I) and a salt thereof are adenosine antagonists and are useful as medicaments.
• [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.