2-溴-1-[4-(2-溴乙酰基)哌嗪-1-基]乙酮 | 6302-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-溴-1-[4-(2-溴乙酰基)哌嗪-1-基]乙酮
• 英文名称: N,N'-bis(bromoacetyl)piperazine
• 英文别名: 1,4-Bis-(bromacetyl)-piperazin；1,4-bis-bromoacetyl-piperazine；2-Bromo-1-[4-(2-bromoacetyl)piperazin-1-yl]ethanone
• CAS: 6302-66-5
• 化学式: C₈H₁₂Br₂N₂O₂
• 分子量: 328.003
• InChiKey: DHZOUIWDQCNEFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1，4-二乙酰基哌嗪 在 溴 作用下， 以 氯仿 为溶剂， 反应 120.0h， 生成 2-溴-1-[4-(2-溴乙酰基)哌嗪-1-基]乙酮
  参考文献：
  名称：

  摘要：

  N,N-Dialkylcarboxamides react with halogens in the absence of water to form complexes which are likely to have an ionic structure with the Hlg(+) ion coordinated at the carbonyl oxygen atom. These products can be isolated as individual compounds. Complexes with bromine undergo further transformations to afford bis-dialkylamide hydrogen tribromide and the corresponding a-bromo amide. When the reaction is carried out in the presence of water, the products are only bis-dialkylamide hydrogen tribromides; here, the N-alkyl groups act as a source of protons.

  DOI：

  10.1023/a:1013146630045

文献信息

• COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF
  申请人：FOG PHARMACEUTICALS, INC.

  公开号：US20210179665A1

  公开（公告）日：2021-06-17

  The present disclosure provides powerful technologies for the development, production, characterization, and/or use of stapled peptide compositions. Among other things, the present disclosure provides strategies for defining amino acid sequences particularly amenable or useful for stapling, as well as technologies, reagents, and systems for developing, producing, characterizing, and/or using stapled peptides having such amino acid sequences.
• US6041157A
  申请人：——

  公开号：US6041157A

  公开（公告）日：2000-03-21
• [DE] NEUE ANTHRACHINON-DERIVATE<br/>[EN] NOVEL ANTHRAQUINONE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE L'ANTHRAQUINONE
  申请人：SEALIFE PHARMA GMBH

  公开号：WO2015172171A2

  公开（公告）日：2015-11-19

  [EN] The invention relates to novel anthraquinone derivatives of the formula (I), wherein R1 is selected from linear, branched or cyclic, saturated or unsaturated organic radicals having 1 to 30 carbon atoms and is monovalent or divalent and two groups of formula (I) join together to form a dimer; one or more of the carbon atoms of R1 are optionally substituted by heteroatoms, selected independently of one another selected from 0, N, S and P, wherein R1 is optionally substituted by one or more substituents which are independently selected from each other from halogens, -OH, =O and -N(R2)2, wherein the R2 are selected independently from each other from H, an C1-6-alkyl group and a divalent C1-6-alkylene group, the two groups of the formula (I) joining together to from a dimer; under the proviso that at least one of the two radicals R1 of formula (I) is CH3 ; The invention also relates to a method for the production thereof and use thereof as anti-infective agents.
  [FR] L'invention concerne de nouveaux dérivés de l'anthraquinone de formule (I), dans laquelle R1 est choisi parmi des radicaux organiques linéaires, ramifiés ou cycliques, saturés ou insaturés ayant 1 à 30 atomes de carbone, qui est monovalent ou bien divalent et lie mutuellement deux groupes de formule (I) pour former un dimère. Un ou plusieurs atomes de carbone de R1 sont substitués le cas échéant par des hétéroatomes choisis indépendamment les uns des autres parmi O, N, S et P. R1 est substitué le cas échéant par un ou plusieurs substituants choisis indépendamment les uns des autres parmi les halogènes, -OH, =O et -N(R2)2.Les radicaux R2, indépendamment les uns des autres sont choisis parmi H, un groupe alkyle en C1-C6 et un groupe alkyle en C1-C6 divalent liant mutuellement deux groupes de formule (I) pour former un dimère, à condition qu'au moins un des deux radicaux R1 de formule (I) soit CH3. L'invention concerne également un procédé de préparation de ces composés ainsi que leur utilisation comme anti-infectieux.
  [DE] Die vorliegende Erfindung betrifft neue Anthrachinon-Derivate der Formel (I), worin R1 aus linearen, verzweigten oder zyklischen, gesättigten oder ungesättigten organischen Resten mit 1 bis 30 Kohlenstoffatomen ausgewählt ist und einwertig ist oder aber zweiwertig ist und dabei zwei Gruppierungen der Formel (I) miteinander zu einem Dimer verbindet; wobei ein oder mehrere Kohlenstoffatome von R1 gegebenenfalls durch Heteroatome ersetzt sind, die unabhängig voneinander aus 0, N, S und P ausgewählt sind, wobei R1 gegebenenfalls mit einem oder mehreren Substituenten substituiert ist, die unabhängig voneinander aus Halogenen, -OH, =O und -N(R2)2 ausgewählt sind, worin die R2 unabhängig voneinander aus H, C1-6-Alkyl und zweiwertigem C1-6-Alkylen, das zwei Gruppierungen der Formel (I) miteinander zu einem Dimer verbindet, ausgewählt sind; mit der Maßgabe, dass zumindest einer der beiden Reste R1 in Formel (I) CH3 ist; ein Herstellungsverfahren dafür sowie deren Verwendung als Antiinfektiva.
• [EN] COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF<br/>[FR] COLLECTIONS DE PEPTIDES, D'AGENTS PEPTIDIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：FOG PHARMACEUTICALS INC

  公开号：WO2020041270A1

  公开（公告）日：2020-02-27

  The present disclosure provides powerful technologies for the development, production, characterization, and/or use of stapled peptide compositions. Among other things, the present disclosure provides strategies for defining amino acid sequences particularly amenable or useful for stapling, as well as technologies, reagents, and systems for developing, producing, characterizing, and/or using stapled peptides having such amino acid sequences.
• ——
  作者：N. I. Burakov、A. L. Kanibolotskii、G. Yu. Osichenko、V. A. Mikhailov、V. A. Savelova、V. V. Kosmynin

  DOI：10.1023/a:1013146630045

  日期：——

  N,N-Dialkylcarboxamides react with halogens in the absence of water to form complexes which are likely to have an ionic structure with the Hlg(+) ion coordinated at the carbonyl oxygen atom. These products can be isolated as individual compounds. Complexes with bromine undergo further transformations to afford bis-dialkylamide hydrogen tribromide and the corresponding a-bromo amide. When the reaction is carried out in the presence of water, the products are only bis-dialkylamide hydrogen tribromides; here, the N-alkyl groups act as a source of protons.