4-氨基-2-氯乙酰苯胺 | 57556-49-7

• 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: 4-氨基-2-氯乙酰苯胺
• 中文别名: 4'-氨基-2'-氯乙酰苯胺；N-(4-氨基-2-氯苯基)乙酰胺
• 英文名称: N-(4-Amino-2-chloro-phenyl)-acetamide
• 英文别名: N-(4-amino-2-chlorophenyl)acetamide；2-chloro-4-aminoacetanilide；4-acetamido-3-chloroaniline；3-chloro-4-acetylaminoaniline；acetic acid-(4-amino-2-chloro-anilide)；N¹-Acetyl-2-chlor-phenylendiamin-(1.4)
• CAS: 57556-49-7
• 化学式: C₈H₉ClN₂O
• mdl: MFCD00034068
• 分子量: 184.625
• InChiKey: LWAYASXDHDEGAO-UHFFFAOYSA-N

物化性质

• 熔点：
  131-133°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  4-氨基-2-氯乙酰苯胺 在 Oxone 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.17h， 以70%的产率得到2-chloro-4-nitrosoacetanilide
  参考文献：
  名称：

  Variable Noninnocence of Substituted Azobis(phenylcyanamido)diruthenium Complexes

  摘要：

  The synthetic chemistry of substituted 4,4'-azobis(phenylcyanamide) ligands was investigated, and the complexes [{Ru(tpy)(bpy)}(2)(mu-L)][PF6](2), where L = 2,2':5,5'-tetramethyl-4,4'-azobis(phenylcyanamido) (Me4adpc(2)), 2,2'-dimethyl-4,4'-azobis(phenylcyanamido) (Me(2)adpc(2)), unsubstituted (adpc2), 3,3'-dichloro-4,4'-azobis(phenylcyanamido) (Cl(2)adpc(2)), and 2,2':5,5'-tetrachloro-4,4'-azobis(phenylcyanamido) (Cl(4)adpc(2)), were prepared and characterized by cyclic voltammetry and visnear-IR (NIR) and IR spectroelectrochemistry. The room temperature electron paramagnetic resonance spectrum of [{Ru(tpy)(bpy)}(2)(mu-Me(4)adpc)](3+) showed an organic radical signal and is consistent with an oxidation-state description [Ru-II, Me(4)adpc, Ru-II](3+), while that of [{Ru(tpy)(bpy)}(2)(mu-Cl(2)adpc)](3+) at 10 K showed a low-symmetry Ru-III signal, which is consistent with the description [Ru-III, Cl(2)adpc(2), Ru-II](3+). IR spectroelectrochemistry data suggest that [{Ru(tpy)(bpy)}(2)(mu-adpc)](3+) is delocalized and [{Ru(tpy)(bpy)}(2)(mu-Cl(2)adpc)](3+) and [{Ru(tpy)(bpy)}(2)(mu-Cl(4)adpc)](3+) are valence-trapped mixed-valence systems. A NIR absorption band that is unique to all [{Ru(tpy)(bpy)}(2)(mu-L)](3+) complexes is observed; however, its energy and intensity vary depending on the nature of the bridging ligand and, hence, the complexes oxidation-state description.

  DOI：

  10.1021/ic502487x
• 作为产物：
  描述：

  N-(2-氯-4-硝基苯基)乙酰胺 在 盐酸 、 tin(II) chloride dihdyrate 作用下， 以 水 为溶剂， 反应 2.0h， 以42%的产率得到4-氨基-2-氯乙酰苯胺
  参考文献：
  名称：

  [EN] ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  [FR] MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE

  摘要：

  公式（I）及其盐，其中R1、RA2、RA3和RA4在此处定义，具有对mGluR-4受体位点进行正向变构的特性。还描述了包含公式（I）化合物或其盐的药物配方，以及使用它们治疗帕金森病和相关疾病的方法。

  公开号：

  WO2013060029A1

文献信息

• [EN] INHIBITORS OF PI3 KINASE AND / OR MTOR<br/>[FR] INHIBITEURS DE LA PI3 KINASE ET/OU DU MTOR
  申请人：AMGEN INC

  公开号：WO2010126895A1

  公开（公告）日：2010-11-04

  The present invention relates to compounds of Formula I, or a pharmaceutically acceptable salt thereof; methods of treating diseases or conditions, such as cancer, using the compounds; and pharmaceutical compositions containing the compounds, wherein the variables are as defined herein.

  本发明涉及式I的化合物或其药用可接受盐；使用这些化合物治疗疾病或症状的方法，如癌症；以及含有这些化合物的药物组合物，其中变量如本文所定义。
• Disrupting the Conserved Salt Bridge in the Trimerization of Influenza A Nucleoprotein
  作者：Jennifer L. Woodring、Shao-Hung Lu、Larissa Krasnova、Shih-Chi Wang、Jhih-Bin Chen、Chiu-Chun Chou、Yi-Chou Huang、Ting-Jen Rachel Cheng、Ying-Ta Wu、Yu-Hou Chen、Jim-Min Fang、Ming-Daw Tsai、Chi-Huey Wong

  DOI：10.1021/acs.jmedchem.9b01244

  日期：2020.1.9

  threat to public health. To develop a broad-spectrum inhibitor of influenza to combat the problem of drug resistance, we previously identified the highly conserved E339...R416 salt bridge of the nucleoprotein trimer as a target and compound 1 as an inhibitor disrupting the salt bridge with an EC50 = 2.7 μM against influenza A (A/WSN/1933). We have further modified this compound via a structure-based

  流感感染中的抗病毒药物耐药性已成为对公共卫生的主要威胁。为了开发广谱的流感抑制剂来解决耐药性问题，我们之前确定了高度保守的核蛋白三聚体E339 ... R416盐桥为靶标，化合物1为通过EC50破坏盐桥的抑制剂甲型流感病毒= 2.7μM（A / WSN / 1933）。我们通过基于结构的方法进一步修饰了该化合物，并进行了抗病毒活性筛选，以鉴定化合物29和30的EC50值分别为110和120 nM，并且没有可测量的宿主细胞毒性。与临床使用的神经氨酸酶抑制剂相比，这两种化合物对耐药性A型流感病毒株和B型流感病毒显示出更好的活性，
• [EN] ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013060029A1

  公开（公告）日：2013-05-02

  Formula (I), and salts thereof, wherein R1, RA2, RA3 and RA4, are defined herein, which have properties for positive allosteric modulation of mGluR-4 receptor sites. Also described are pharmaceutical formulations comprising the compounds of Formula (I) or their salts, and methods of treating Parkinson's disease and related disorders using the same.

  公式（I）及其盐，其中R1、RA2、RA3和RA4在此处定义，具有对mGluR-4受体位点进行正向变构的特性。还描述了包含公式（I）化合物或其盐的药物配方，以及使用它们治疗帕金森病和相关疾病的方法。
• [EN] UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES<br/>[FR] DERIVES DE SULFONAMIDE SUBSTITUES PAR UREE
  申请人：BIOTIE THERAPIES CORP

  公开号：WO2010146236A1

  公开（公告）日：2010-12-23

  The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I').

  本发明涉及含有脲基的磺胺类衍生物。该发明还涉及将这些衍生物用作胶原受体整合素的抑制剂，特别是α2β1整合素抑制剂，例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中使用，其用作药物，例如用于治疗血栓形成、炎症、癌症和血管疾病，含有它们的药物组合物以及制备它们的方法。这些磺胺类衍生物具有一般式(I)或(I')。
• [EN] NOVEL IMIDAZO-PYRAZINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZO-PYRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021249893A1

  公开（公告）日：2021-12-16

  The invention provides novel imidazo-pyrazine derivatives having the general formula (I), and pharmaceutically acceptable salts thereof, wherein X, m, n, and R1 to R3 are as described herein: formula (I). Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

  该发明提供了具有一般式(I)的新型咪唑吡嗪衍生物，以及其药用盐，其中X、m、n和R1至R3如本文所述：式(I)。此外还提供了包括该化合物的药物组合物、制造该化合物的方法以及将该化合物用作药物的方法，特别是将该化合物用作抗生素治疗或预防细菌感染及由此导致的疾病的方法。