1-(4-甲氧基-2-嘧啶基)乙酮 | 463337-53-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-甲氧基-2-嘧啶基)乙酮
• 中文别名: 1-(4-甲氧基嘧啶-2-基)乙-1-酮
• 英文名称: 1-(4-methoxy-2-pyrimidinyl)ethanone
• 英文别名: 1-(4-Methoxypyrimidin-2-yl)ethanone
• CAS: 463337-53-3
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: GKOXITHQVTZTSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基-2-嘧啶基)乙酮 在 盐酸 、 N-碘代丁二酰亚胺 、 sodium hydride 、 溶剂黄146 、 三乙胺 、 sodium nitrite 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 3.84h， 生成 methyl 2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxy-1-piperidyl]-4-(4-methoxypyrimidin-2-yl)thiazole-5-carboxylate
  参考文献：
  名称：

  Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)

  摘要：

  AZD5099 (compound 63) is an antibacterial agent that entered phase 1 clinical trials targeting infections caused by Gram-positive and fastidious Gram-negative bacteria. It was derived from previously reported pyrrolamide antibacterials and a fragment-based approach targeting the ATP binding site of bacterial type II topoisomerases. The program described herein varied a 3-piperidine substituent and incorporated 4-thiazole substituents that form a seven-membered ring intramolecular hydrogen bond with a 5-position carboxylic acid. Improved antibacterial activity and lower in vivo clearances were achieved. The lower clearances were attributed, in part, to reduced recognition by the multidrug resistant transporter Mrp2. Compound 63 showed notable efficacy in a mouse neutropenic Staphylococcus aureus infection model. Resistance frequency versus the drug was low, and reports of clinical resistance due to alteration of the target are few. Hence, 63 could offer a novel treatment for serious issues of resistance to currently used antibacterials.

  DOI：

  10.1021/jm500462x
• 作为产物：
  描述：

  2-氯-4-甲氧基嘧啶 在 氢碘酸 、 异丙基氯化镁 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成 1-(4-甲氧基-2-嘧啶基)乙酮
  参考文献：
  名称：

  PIPERDINE COMPOUNDS AND USES THEREOF-911

  摘要：

  描述了化合物的公式（I）及其药用盐。还描述了它们的制备过程、含有它们的药物组合物、作为药物的用途以及在治疗细菌感染中的用途。

  公开号：

  US20080312255A1

文献信息

• [EN] NOVEL MICROBIOCIDES<br/>[FR] MICROBIOCIDES INÉDITS
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2012038521A1

  公开（公告）日：2012-03-29

  The present invention provides compounds of formula (I) wherein R1, R2, A, X, D1, D2 and Y3 are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  本发明提供了式（I）中的化合物，其中R1、R2、A、X、D1、D2和Y3如索赔中所定义。该发明还提供了在制备这些化合物中使用的中间体，包括含有这些化合物的组合物以及它们在农业或园艺中用于控制或预防植物被植物病原微生物，尤其是真菌侵害的用途。
• [EN] NOVEL BISOXIME MICROBIOCIDES<br/>[FR] NOUVEAUX MICROBIOCIDES BISOXIME
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013139822A1

  公开（公告）日：2013-09-26

  The invention relates to compounds of formula (I), wherein R1, R2, X, Y1, Y2, Y3, D1, D2, D3, G1, G2, G3 and p are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  该发明涉及式(I)的化合物，其中R1、R2、X、Y1、Y2、Y3、D1、D2、D3、G1、G2、G3和p如权利要求中所定义。该发明还提供了用于制备这些化合物的中间体，以及包含这些化合物的组合物，并将它们用于农业或园艺中，用于控制或预防植物受植物病原微生物，尤其是真菌的侵害。
• Novel microbiocides
  申请人：Syngenta Participations AG

  公开号：EP2641901A1

  公开（公告）日：2013-09-25

  The invention relates to compounds of formula I wherein R1, R2, X, Y1, Y2, Y3, D1, D2, D3, G1, G2, G3 and p are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  该发明涉及公式I中的化合物，其中R1、R2、X、Y1、Y2、Y3、D1、D2、D3、G1、G2、G3和p如权利要求中所定义。该发明还提供了用于制备这些化合物的中间体，以及包含这些化合物的组合物，并将它们用于农业或园艺中，以控制或预防植物受植物病原微生物，尤其是真菌的侵害。
• Imidazo-pyrimidine derivatives as ligands for gaba receptors
  申请人：——

  公开号：US20040092533A1

  公开（公告）日：2004-05-13

  A class of imidazo[1,2-&agr;]pyrimidine derivatives, substituted at the 3-position by an optionally substituted five-membered or six-membered heteroaromatic ring, are selective ligands for GABA A receptors, in particular having good affinity for the &agr;2 and/or &agr;3 and/or &agr;5 subunit thereof, and are accordingly of benefit in the treatment and/or prevention of adverse conditions of the central nervous system, including anxiety, convulsions and cognitive disorders.

  一类咪唑[1,2-&agr;]嘧啶衍生物，在3位被一个可选择取代的五元或六元杂环芳香环所取代，是GABAA受体的选择性配体，特别是对其&agr;2和/或&agr;3和/或&agr;5亚单位具有良好的亲和力，因此对于治疗和/或预防中枢神经系统的不良病症，包括焦虑、惊厥和认知障碍具有益处。
• NOVEL MICROBIOCIDES
  申请人：Zambach Werner

  公开号：US20140309244A1

  公开（公告）日：2014-10-16

  The present invention provides compounds of formula (I) wherein R 1 , R 2 , A, X, D 1 , D 2 and Y 3 are as defined in the claims. The invention further provides intermediates used in the preparation of these compounds, to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  本发明提供了式（I）的化合物，其中R1，R2，A，X，D1，D2和Y3如权利要求所定义。本发明还提供了用于制备这些化合物的中间体，以及包含这些化合物的组合物和它们在农业或园艺中用于控制或预防植物被植物病原微生物（优选为真菌）侵染的用途。