1-(1,4-dimethyl-1H-pyrazol-3-yl)ethanone | 99644-93-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1,4-dimethyl-1H-pyrazol-3-yl)ethanone
• 英文别名: 1-(1,4-Dimethyl-1H-pyrazol-3-yl)-aethanon；1-(1,4-Dimethyl-1H-pyrazol-3-yl)ethanone；1-(1,4-dimethylpyrazol-3-yl)ethanone
• CAS: 99644-93-6
• 化学式: C₇H₁₀N₂O
• 分子量: 138.169
• InChiKey: KJVBLCMUGHNZRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1,4-dimethyl-1H-pyrazol-3-yl)ethanone 在 bromine oxide 作用下， 生成 1,4-二甲基-1H-吡唑-3-羧酸
  参考文献：
  名称：

  Brain; Finar, Journal of the Chemical Society, 1958, p. 2435

  摘要：

  DOI：
• 作为产物：
  描述：

  5-acetyl-2,4-dimethyl-2H-pyrazole-3-carboxylic acid 生成 1-(1,4-dimethyl-1H-pyrazol-3-yl)ethanone
  参考文献：
  名称：

  451.一些吡唑基乳酸的制备和性质

  摘要：

  DOI：

  10.1039/jr9570002356

文献信息

• Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective, and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase
  作者：Sébastien L. Degorce、Bernard Barlaam、Elaine Cadogan、Allan Dishington、Richard Ducray、Steven C. Glossop、Lorraine A. Hassall、Franck Lach、Alan Lau、Thomas M. McGuire、Thorsten Nowak、Gilles Ouvry、Kurt G. Pike、Andrew G. Thomason

  DOI：10.1021/acs.jmedchem.6b00519

  日期：2016.7.14

  A novel series of 3-quinoline carboxamides has been discovered and optimized as selective inhibitors of the ataxia telangiectasia mutated (ATM) kinase. From a modestly potent HTS hit (4), we identified molecules such as 6-[6-(methoxymethyl)-3-pyridinyl]-4-[(1R)-1-(tetrahydro-2H-pyran-4-yl)ethyl]amino}-3-quinolinecarboxamide (72) and 7-fluoro-6-[6-(methoxymethyl)pyridin-3-yl]-4-[(1S)-1-(1-methyl-

  已经发现了一系列新型的3-喹啉羧酰胺，并将其优化为共济失调毛细血管扩张突变（ATM）激酶的选择性抑制剂。从适度强力的HTS命中（4），我们确定了诸如6- [6-（甲氧基甲基）-3-吡啶基] -4-[（（1 R）-1-（tetrahydro-2 H -pyran-4-酰基）乙基]氨基} -3-喹啉甲酰胺（72）和7-氟-6- [6-（甲氧基甲基）吡啶-3-基] -4-[（（1 S）-1-（1-甲基-1）H-吡唑-3-基）乙基]氨基}喹啉-3-羧酰胺（74）作为有效的和高度选择性的ATM抑制剂，具有适合口服的整体ADME特性。72和74构成探测体内ATM抑制作用的出色口头工具。在疾病相关模型中观察到与DSB诱导剂伊立替康联用的疗效。
• PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：US20200172517A1

  公开（公告）日：2020-06-04

  A novel herbicide having remarkable herbicidal activities against undesired plants is provided. A pyridazinone compound represented by the formula (I) or its salt: wherein X is —O—, —S—, —SO—, —SO 2 — or —N(Y)—; Q is monocyclic aryl which may be substituted by Z, monocyclic heteroaryl which may be substituted by Z or the like; Y is a hydrogen atom or alkyl; Z is halogen, alkyl or the like; R 1 is alkyl, alkenyl or the like; R 2 is a hydrogen atom, alkyl or the like; R 3 is halogen, hydroxy or the like; R 4 is a hydrogen atom, alkyl or the like; and n is an integer of from 0 to 4.

  提供了一种对不受欢迎的植物具有显著除草活性的新型除草剂。一种由以下式（I）或其盐表示的吡啶并酮化合物： 其中X为—O—，—S—，—SO—，—SO2—或—N(Y)—；Q为可以由Z取代的单环芳基，可以由Z取代的单环杂芳基或类似物；Y为氢原子或烷基；Z为卤素，烷基或类似物；R1为烷基，烯烃基或类似物；R2为氢原子，烷基或类似物；R3为卤素，羟基或类似物；R4为氢原子，烷基或类似物；n为0到4的整数。
• PYRIDAZINONE-TYPE COMPOUND OR SALT THEREOF, AND HERBICIDE COMPRISING SAME
  申请人：Ishihara Sangyo Kaisha, Ltd.

  公开号：EP3438095A1

  公开（公告）日：2019-02-06

  A novel herbicide having remarkable herbicidal activities against undesired plants is provided. A pyridazinone compound represented by the formula (I) or its salt: wherein X is -O-, -S-, -SO-, -SO2- or -N(Y)-; Q is monocyclic aryl which may be substituted by Z, monocyclic heteroaryl which may be substituted by Z or the like; Y is a hydrogen atom or alkyl; Z is halogen, alkyl or the like; R1 is alkyl, alkenyl or the like; R2 is a hydrogen atom, alkyl or the like; R3 is halogen, hydroxy or the like; R4 is a hydrogen atom, alkyl or the like; and n is an integer of from 0 to 4.

  本研究提供了一种新型除草剂，该除草剂对有害植物具有显著的除草活性。 一种由式（I）或其盐代表的哒嗪酮化合物： 其中X是-O-、-S-、-SO-、-SO2-或-N(Y)-；Q是可被Z取代的单环芳基、可被Z取代的单环杂芳基或类似物；Y是氢原子或烷基；Z是卤素、烷基或类似物；R1是烷基、烯基或类似物；R2是氢原子、烷基或类似物；R3是卤素、羟基或类似物；R4是氢原子、烷基或类似物；n是0至4的整数。
• Pyridazinone compound or its salt, and herbicide containing it
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：US10870638B2

  公开（公告）日：2020-12-22

  A novel herbicide having remarkable herbicidal activities against undesired plants is provided. A pyridazinone compound represented by the formula (I) or its salt: wherein X is —O—, —S—, —SO—, —SO2— or —N(Y)—; Q is monocyclic aryl which may be substituted by Z, monocyclic heteroaryl which may be substituted by Z or the like; Y is a hydrogen atom or alkyl; Z is halogen, alkyl or the like; R1 is alkyl, alkenyl or the like; R2 is a hydrogen atom, alkyl or the like; R3 is halogen, hydroxy or the like; R4 is a hydrogen atom, alkyl or the like; and n is an integer of from 0 to 4.

  本研究提供了一种新型除草剂，该除草剂对有害植物具有显著的除草活性。 一种由式（I）或其盐代表的哒嗪酮化合物： 其中 X 是-O-、-S-、-SO-、-SO2- 或-N(Y)-；Q 是可被 Z 取代的单环芳基、可被 Z 取代的单环杂芳基或类似物；Y 是氢原子或烷基；Z 是卤素、烷基或类似物；R1 是烷基、烯基或类似物；R2 是氢原子、烷基或类似物；R3 是卤素、羟基或类似物；R4 是氢原子、烷基或类似物；n 是 0 至 4 的整数。
• US9617282B2
  申请人：——

  公开号：US9617282B2

  公开（公告）日：2017-04-11