(5-甲基-4,5-二氢-1H-吡唑-1-基)(吡啶-3-基)甲酮 | 121306-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (5-甲基-4,5-二氢-1H-吡唑-1-基)(吡啶-3-基)甲酮
• 英文名称: 1-(pyridin-3-ylcarbonyl)-5-methyl-2-pyrazoline
• 英文别名: 1-nicotinoyl-5-methyl-2-pyrazoline；1-(3-Pyridylcarbonyl)-5-methyl-2-pyrazoline；5-methyl-1-nicotinoyl-2-pyrazoline；(5-Methyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-3-yl)methanone；(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
• CAS: 121306-58-9
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: KKMMIKKVFRCZBO-UHFFFAOYSA-N

物化性质

• 沸点：
  323.4±34.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  nicotinic acid but-2t-enylidenehydrazide 在 silica gel 、 氯仿 、 甲醇 作用下， 以 1,1'-Biphenyl;ethoxyethane 为溶剂， 200.0~220.0 ℃ 、5.33 kPa 条件下， 反应 3.0h， 以Thus there was obtained 8.0 g of 1-nicotinoyl-5-methyl-2-pyrazoline in the form of an oil (bp. 143°-145° C./0.3 mmHg)的产率得到(5-甲基-4,5-二氢-1H-吡唑-1-基)(吡啶-3-基)甲酮
  参考文献：
  名称：

  Process for producing 1-acyl-2-pyrazoline derivative

  摘要：

  公式为##STR1##的1-酰基-2-吡唑啉衍生物，其中R.sup.1表示氢原子，吡啶基，吡嗪基，烷基，芳基或烷氧基；而R.sup.2、R.sup.3和R.sup.4独立地表示氢原子，呋喃基，吡啶基，烷基或芳基，通过加热表示为##STR2##的酰肼衍生物进行环化反应，从而产生具有有用的抗脑水肿活性的化合物。

  公开号：

  US04895947A1

文献信息

• Method of optically resolving
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US05075449A1

  公开（公告）日：1991-12-24

  The present invention relates to a novel (-)-2-pyrazoline compound and therapeutic agents containing the same as an effective ingredient; furthermore, it relates to a method for optically resolving 1-(3-pyridylcarbonyl)-5-methyl-2-pyrazoline.

  本发明涉及一种新型的(-)-2-吡唑烷化合物及包含其作为有效成分的治疗剂；此外，本发明还涉及一种对1-(3-吡啶基甲酰基)-5-甲基-2-吡唑烷进行光学分辨的方法。
• (-)-2-pyrazoline compounds and therapeutic agent for cerebrovascular
  申请人：Mitsui Toatsu Chemicals Incorporated

  公开号：US05089622A1

  公开（公告）日：1992-02-18

  The present invention relates to a novel (-)-2-pyrazoline compound and therapeutic agents containing the same as an effective ingredient; furthermore, it relates to a method for optically resolving 1-(3-pyridylcarbonyl)-5-methyl-2-pyrazoline.

  本发明涉及一种新型的(-)-2-吡唑烷化合物和包含其作为有效成分的治疗剂；此外，本发明还涉及一种对1-(3-吡啶基甲酰基)-5-甲基-2-吡唑烷进行光学分离的方法。
• Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0295695A2

  公开（公告）日：1988-12-21

  This invention relates to new 2-pyrazoline derivatives represented by the following general formula (A): ( wherein R¹ denotes a pyridyl, a pyrazyl or an alkoxyl group; and R² stands for hydrogen atom, an alkyl, a pyridyl, a furyl, phenyl or a substituted phenyl group ), and to a process for producing the same. This invention also relates to agents for treating cerebrovascular diseases containing, as active ingredients, a 2-pyrazoline derivative represented by the following general formula (G): ( wherein R³ denotes hydrogen atom, an alkyl, acetyl, an alkoxycarbonyl, an amino, benzoyl, a substituted benzoyl, a pyridylcarbonyl, a furylcabonyl, a thienylcarbonyl, a pyrazylcarbonyl, an N-substituted carbamoyl, an N-sub­stituted thiocarbamoyl, or carboxyl group; and R⁴ stands for hydrogen atom, an alkyl, a pyridyl, a thienyl, a furyl, cyclohexyl, phenyl or a substituted phenyl group ) or a pharmaceutically acceptable salt thereof. Administration of an agent of this invention for treat­ing cerebrovascular diseases copes with cerebral edemata in the acute stage of cerebral apoplexy and regulates the whole-body and intracranial blood circulation, thereby protecting ischemic lesions and minimizing the spread of affected parts.

  本发明涉及由以下通式(A)代表的新的 2-吡唑啉衍生物： (其中，R¹表示吡啶基、吡嗪基或烷氧基；R²表示氢原子、烷基、吡啶基、呋喃基、苯基或取代苯基），并涉及其生产工艺。本发明还涉及治疗脑血管疾病的制剂，其活性成分含有下通式（G）代表的 2-吡唑啉衍生物： (其中 R³ 表示氢原子、烷基、乙酰基、烷氧羰基、氨基、苯甲酰基、取代苯甲酰基、吡啶羰基、呋喃羰基、噻吩羰基、吡嗪羰基、N-取代氨基甲酰基、N-取代硫代氨基甲酰基或羧基；R⁴代表氢原子、烷基、吡啶基、噻吩基、呋喃基、环己基、苯基或取代苯基）或其药学上可接受的盐。 服用本发明治疗脑血管疾病的制剂，可在脑中风的急性期处理脑水肿，调节全身和颅内血液循环，从而保护缺血性病变，最大限度地减少受影响部位的扩散。
• Process for producing 1-acyl-2-pyrazoline derivatives
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0322691A1

  公开（公告）日：1989-07-05

  1-Acyl-2-pyrazoline derivatives represented by the formula where R¹ denotes a hydrogen atom, pyridyl group, pyrazinyl group, alkyl group, aryl group, or alkoxy group; and R², R³, and R⁴ independently denote a hydrogen atom, furyl group, pyridyl group, alkyl group, or aryl group, are produced by cyclizing by heating an acylhydrazone derivative represented by the formula where R¹, R², R³, and R⁴ are defined as above, to produce compounds having useful anti-cerebral edema activity.

  1-酰基-2-吡唑啉衍生物，由式表示 式中 R¹表示氢原子、吡啶基、吡嗪基、烷基、芳基或烷氧基；R²、R³和R⁴独立地表示氢原子、糠基、吡啶基、烷基或芳基，通过加热环化由式表示的酰基腙衍生物而制得。 其中 R¹、R²、R³ 和 R⁴ 的定义同上，从而制得具有有效抗脑水肿活性的化合物。
• New use of glutamate antagonists for the treatment of cancer
  申请人：Ikonomidou, Hrissanthi

  公开号：EP1002535A1

  公开（公告）日：2000-05-24

  New therapies can be devised based upon a demonstration of the role of glutamate in the pathogenesis of cancer. Inhibitors of the interaction of glutamate with the AMPA, kainate, or NMDA receptor complexes are likely to be useful in treating cancer and can be formulated as pharmaceutical compositions. They can be identified by appropriate screens.

  根据谷氨酸在癌症发病机制中的作用，可以设计出新的疗法。谷氨酸与 AMPA、kainate 或 NMDA 受体复合物相互作用的抑制剂可能有助于治疗癌症，并可配制成药物组合物。它们可以通过适当的筛选来确定。