2-氯-N-(2-甲氧基-5-硝基-苯基)-乙酰胺 | 58795-63-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-N-(2-甲氧基-5-硝基-苯基)-乙酰胺
• 中文别名: 2-氯-n-(2-甲氧基-5-硝基-苯基)-乙酰胺
• 英文名称: 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide
• 英文别名: 2-chloro-2'-methoxy-5'-nitroacetanilide；2-chloroacetylamino-4-nitroanisole
• CAS: 58795-63-4
• 化学式: C₉H₉ClN₂O₄
• mdl: MFCD02580945
• 分子量: 244.634
• InChiKey: FCDAGNIVHLUJRM-UHFFFAOYSA-N

物化性质

• 熔点：
  174.5-175.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  423.3±40.0 °C(Predicted)
• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-氯-N-(2-甲氧基-5-硝基-苯基)-乙酰胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 、 1-丙基磷酸酐 、 三乙胺 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 43.0h， 生成 2'-fluoro-N-{4-methoxy-3-[(morpholin-4-ylacetyl)amino]phenyl}biphenyl-4-carboxamide
  参考文献：
  名称：

  [EN] SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  公开号：

  WO2014147182A3
• 作为产物：
  描述：

  氯乙酰氯 、 2-氨基-4-硝基苯甲醚 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以97%的产率得到2-氯-N-(2-甲氧基-5-硝基-苯基)-乙酰胺
  参考文献：
  名称：

  [EN] N-PHENYL-(MORPHOLIN-4-YL OR PIPERAZINYL)ACETAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAYS
  [FR] DÉRIVÉS DE N-PHÉNYL-(MORPHOLIN-4-YL OU PIPÉRAZINYL)ACÉTAMIDE ET LEUR UTILISATION COMME INHIBITEURS DES VOIES DE SIGNALISATION WNT

  摘要：

  本发明涉及抑制Wnt信号通路的抑制剂，其通用公式为（I），其中LA代表*CH2**或*Δ**；其中*表示与羰基组的连接点，**表示与R1的连接点；LB代表*N(H)-C(=O)**或*C(=O)-N(H)**；其中*表示与R2的连接点，**表示与苯基的连接点；R1代表从（AA）中选择的一个组；其中*表示与LA的连接点，R2代表：（BB）其中*表示与R3的连接点，**表示与LB的连接点；R3代表从（CC）中选择的一个组；其中*表示与R2的连接点；R4和R5代表氢原子；R6代表卤素原子或从-CH3，-O-CH3，-O-CHF2，-O-CF3和-O-环丙基中选择的一个组；涉及制备所述化合物的方法，包括所述化合物的药物组合物和组合，以及将所述化合物用于制造用于治疗或预防疾病，特别是增生紊乱的药物组合物，作为单一药剂或与其他活性成分结合使用。

  公开号：

  WO2016131810A1

文献信息

• [EN] HYDROGEN PEROXIDE-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS<br/>[FR] COMPOSÉS ACTIVÉS PAR DU PEROXYDE D'HYDROGÈNE SERVANT D'AGENTS THÉRAPEUTIQUES ANTI-CANCÉREUX SÉLECTIFS
  申请人：UNIV CINCINNATI

  公开号：WO2016054486A1

  公开（公告）日：2016-04-07

  Provided are compounds according to the following Formula I: The Formula I compounds are activated in the presence of hydrogen peroxide and are therefore selective anti-cancer therapeutics for cancers associated with elevated reactive oxygen species (ROS). Also provided are methods and pharmaceutical compositions for treating cancers associated with increased ROS.

  提供的是以下式I的化合物：式I的化合物在过氧化氢的存在下被激活，因此是针对与升高活性氧种（ROS）相关的癌症的选择性抗癌治疗剂。还提供了用于治疗与ROS增加相关的癌症的方法和药物组合物。
• Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a
  申请人：Sterling Drug Inc.

  公开号：US04146558A1

  公开（公告）日：1979-03-27

  Water-soluble cationic dyestuffs of the formulae ##STR1## WHEREIN R.sup.0 is hydrogen, lower-alkyl or hydroxy-lower-alkyl; R.sup.1 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.2 is lower-alkyl, lower-alkenyl, hydroxy-lower-alkyl or -(lower-alkylene)-NR.sup.0 Y or R.sup.1 and R.sup.2 together with the nitrogen atom, are pyrrolidino, piperidino or 4-lower-alkanoyl piperazino; Y is hydrogen or ##STR2## wherein R is hydrogen, lower-alkyl, lower-alkenyl, phenyl or phenyl-lower-alkyl; A is a member selected from the group consisting of an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge. K is a small integer whose value is dependent on the nature of A such that it has a range from one to two; R.sup.8 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.9 is lower-alkyl, hydroxy-lower-alkyl or NH.sub.2 ; R.sup.10 is lower-alkyl or lower-alkenyl; A.sup.1 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; G is a small integer whose value is dependent on the nature of A.sup.1 such that it has a range from one to two; R.sup.8 ' is lower-alkyl; R.sup.9 ' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.10 ' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl or R.sup.9 ' and R.sup.10 ' together with the nitrogen atom are morpholino; A.sup.2 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; h is a small integer whose value is dependent on the nature of A.sup.2 such that it has a range from one to two; and An is an anion are particularly useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials. These dyes dye cotton and paper various shades of stable yellows, reds and oranges. The dyeing from these dyes on paper are less prone to bleed and have a high degree of color discharge when bleached with hypochlorite or chlorine bleaches.

  水溶性阳离子染料的化学式为##STR1## 其中R.sup.0为氢、较低烷基或羟基较低烷基；R.sup.1为较低烷基、较低烯烃基或羟基较低烷基；R.sup.2为较低烷基、较低烯烃基、羟基较低烷基或-(较低烷基)-NR.sup.0 Y或R.sup.1和R.sup.2与氮原子一起，为吡咯烷基、哌啶基或4-较低酰基哌嗪基；Y为氢或##STR2## 其中R为氢、较低烷基、较低烯烃基、苯基或苯基较低烷基；A为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子。K是一个小整数，其值取决于A的性质，范围为一到二；R.sup.8为较低烷基、较低烯烃基或羟基较低烷基；R.sup.9为较低烷基、羟基较低烷基或NH.sub.2；R.sup.10为较低烷基或较低烯烃基；A.sup.1为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子；G是一个小整数，其值取决于A.sup.1的性质，范围为一到二；R.sup.8 '为较低烷基；R.sup.9 '为较低烷基、较低烯烃基或羟基较低烷基；R.sup.10 '为较低烷基、较低烯烃基或羟基较低烷基或R.sup.9 '和R.sup.10 '与氮原子一起为吗啉基；A.sup.2为从芳香偶氮染料残基中选择的一种，通过较低烷基桥连接到季铵氮原子；h是一个小整数，其值取决于A.sup.2的性质，范围为一到二；An为阴离子，特别适用于染色天然纤维、合成纤维形成材料和纤维素材料。这些染料可使棉花和纸张呈现各种稳定的黄色、红色和橙色。这些染料在纸张上的染色不易渗出，漂白时与次氯酸盐或氯漂白剂一起具有高度的色彩释放度。
• Water-soluble quaternary ammonium heterocyclic azo dyestuffs
  申请人：Sterling Drug Inc.

  公开号：US03935182A1

  公开（公告）日：1976-01-27

  Water-soluble cationic dyestuffs of the formulae ##SPC1## Wherein R.sup.0 is hydrogen, lower-alkyl or hydroxy-lower-alkyl; R.sup.1 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.2 is lower-alkyl, lower-alkenyl, hydroxy-lower-alkyl or -(lower-alkylene)-NRO Y or R.sup.1 and R.sup.2 together with the nitrogen atom, are pyrrolidino, piperidino or 4-lower-alkanoyl piperazino; Y is hydrogen or ##EQU1## wherein R is hydrogen, lower-alkyl, lower-alkenyl, phenyl or phenyl-lower-alkyl; A is a member selected from the group consisting of an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge. k is a small integer whose value is dependent on the nature or A such that it has a range from one to two; R.sup.8 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.9 is lower-alkyl, hydroxy-lower-alkyl or NH.sub.2 ; R.sup.10 is lower-alkyl or lower-alkenyl; A.sup.1 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; g is a small integer whose value is dependent on the nature of A.sup.1 such that it has a range from one to two; R.sup.8.sup.' is lower-alkyl; R.sup.9.sup.' is lower-alkyl, lower alkenyl or hydroxy-lower-alkyl; R.sup.10.sup.' is lower-alkyl, lower -alkenyl or hydroxy-lower-alkyl or R.sup.9.sup.' and R.sup.10.sup.' together with the nitrogen atom are morpholino; A.sup.2 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; h is a small integer whose value is dependent on the nature of A.sup.2 such that it has a range from one to two; and An is an anion Are particularly useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials.

  具有以下公式的水溶性阳离子染料：##SPC1## 其中R.sup.0是氢，低烷基或羟基低烷基；R.sup.1是低烷基，低烯基或羟基低烷基；R.sup.2是低烷基，低烯基，羟基低烷基或-(低烷基)-NRO Y或R.sup.1和R.sup.2与氮原子一起，为吡咯烷基，哌嗪基或4-低烷酰基哌嗪基；Y是氢或##EQU1## 其中R是氢，低烷基，低烯基，苯基或苯基-低烷基；A是选自由芳香偶氮染料残基的一种，通过低烷基桥连接到季铵氮原子。k是小整数，其值取决于A的性质，范围从一到二；R.sup.8是低烷基，低烯基或羟基低烷基；R.sup.9是低烷基，羟基低烷基或NH.sub.2；R.sup.10是低烷基或低烯基；A.sup.1是通过低烷基桥连接到季铵氮原子上的芳香偶氮染料残基；g是小整数，其值取决于A.sup.1的性质，范围从一到二；R.sup.8.sup.'是低烷基；R.sup.9.sup.'是低烷基，低烯基或羟基低烷基；R.sup.10.sup.'是低烷基，低烯基或羟基低烷基或R.sup.9.sup.'和R.sup.10.sup.'与氮原子一起是吗啡基；A.sup.2是通过低烷基桥连接到季铵氮原子上的芳香偶氮染料残基；h是小整数，其值取决于A.sup.2的性质，范围从一到二；An是阴离子。这些染料特别适用于着色天然纤维，合成纤维成型材料和纤维素材料。
• N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and
  申请人：Sterling Drug Inc.

  公开号：US04206144A1

  公开（公告）日：1980-06-03

  N,N-Dialkyl-N-aminoalkyl-N-aminophenylalkyl quaternary ammonium salts and N-methyl-N-(3-aminophenoxy-2-hydroxy-1-propyl)-N,N-bis(3-aminopropyl) quaternary ammonium salts and their N-nitrophenylalkyl and N-(3-nitrophenoxy) precussor quaternary ammonium salts, respectively are intermediates to water-soluble azo-dyestuffs useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials. These dyes dye cotton and paper various shades of yellows, reds, and oranges with less prone to bleed and with a high degree of discharge when bleached with hypochlorite or chlorine bleaches.

  N,N-二烷基-N-氨基烷基-N-氨基苯基烷基季铵盐和N-甲基-N-(3-氨基苯氧基-2-羟基-1-丙基)-N,N-双(3-氨基丙基)季铵盐以及它们的N-硝基苯基烷基和N-(3-硝基苯氧基)前体季铵盐是水溶性偶氮染料的中间体，可用于染色天然纤维、合成纤维形成材料和纤维素材料。这些染料可使棉和纸以不同的黄、红和橙色染色，不易褪色，在次氯酸或氯漂白剂漂白时具有高度的脱色能力。
• Water-soluble quaternary ammonium dyestuffs
  申请人：Sterling Drug Inc.

  公开号：US03996282A1

  公开（公告）日：1976-12-07

  Water-soluble cationic dyestuffs of the formulae ##STR1## WHEREIN R.sup.0 is hydrogen, lower-alkyl or hydroxy-lower-alkyl; R.sup.1 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.2 is lower-alkyl, lower-alkenyl, hydroxy-lower-alkyl or -(lower-alkylene)-NR.sup.0 Y or R.sup.1 and R.sup.2 together with the nitrogen atom, are pyrrolidino, piperidino or 4-lower-alkanoyl piperazino; Y is hydrogen or ##STR2## wherein R is hydrogen, lower-alkyl, lower-alkenyl, phenyl or phenyl-lower-alkyl; A is a member selected from the group consisting of an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge. K is a small integer whose value is dependent on the nature of A such that it has a range from one to two; R.sup.8 is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; R.sup.9 is lower-alkyl, hydroxy-lower-alkyl or NH.sub.2 ; R.sup.10 is lower-alkyl or lower-alkenyl; A.sup.1 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; g is a small integer whose value is dependent on the nature of A.sup.1 such that it has a range from one to two; R.sup.8.sup.' is lower-alkyl; R.sup.9.sup.' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl; Rk.sup.10.sup.' is lower-alkyl, lower-alkenyl or hydroxy-lower-alkyl or R.sup.9.sup.' and R.sup.10.sup.' together with the nitrogen atom are morpholino; A.sup.2 is an aromatic azo dyestuff residue attached to the quaternary ammonium nitrogen atom through a lower-alkylene bridge; h is a small integer whose value is dependent on the nature of A.sup.2 such that it has a range from one to two; and An is an anion Are particularly useful for coloring natural fibers, synthetic fiber-forming materials and cellulosic materials.

  水溶性阳离子染料的化学式为 ##STR1## 其中R.sup.0是氢、低烷基或羟基低烷基；R.sup.1是低烷基、低烯基或羟基低烷基；R.sup.2是低烷基、低烯基、羟基低烷基或-(低烷基)-NR.sup.0 Y或R.sup.1和R.sup.2与氮原子一起是吡咯烷基、哌嗪基或4-低烷酰基哌嗪基；Y是氢或##STR2## 其中R是氢、低烷基、低烯基、苯基或苯基低烷基；A是从芳香偶氮染料残基中选择的一种，通过低烷基桥连接到季铵氮原子上。K是一个小整数，其值取决于A的性质，范围从1到2；R.sup.8是低烷基、低烯基或羟基低烷基；R.sup.9是低烷基、羟基低烷基或NH.sub.2；R.sup.10是低烷基或低烯基；A.sup.1是从芳香偶氮染料残基中选择的一种，通过低烷基桥连接到季铵氮原子上；g是一个小整数，其值取决于A.sup.1的性质，范围从1到2；R.sup.8.sup.'是低烷基；R.sup.9.sup.'是低烷基、低烯基或羟基低烷基；Rk.sup.10.sup.'是低烷基、低烯基或羟基低烷基或R.sup.9.sup.'和R.sup.10.sup.'与氮原子一起是吗啡基；A.sup.2是从芳香偶氮染料残基中选择的一种，通过低烷基桥连接到季铵氮原子上；h是一个小整数，其值取决于A.sup.2的性质，范围从1到2；An是一个阴离子。这些染料特别适用于染色天然纤维、合成纤维形成材料和纤维素材料。