2-bromo-N-(2,4,6-trichlorophenyl)acetamide | 99468-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-bromo-N-(2,4,6-trichlorophenyl)acetamide
• CAS: 99468-71-0
• 化学式: C₈H₅BrCl₃NO
• mdl: MFCD18839935
• 分子量: 317.397
• InChiKey: KRDFFOCSYKHZDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-N-(2,4,6-trichlorophenyl)acetamide 在 正丙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2,4,6-trichlorophenyl)-N'-(n-propyl) glycinamide
  参考文献：
  名称：

  N-substituted-N',N'-disubstituted glycinamide fungicides

  摘要：

  本发明的N-取代-N',N'-二取代甘氨酸酰胺是有效的杀菌剂。特别是，它们对 Bean Powdery Mildew 具有良好的活性。

  公开号：

  US04532251A1
• 作为产物：
  描述：

  溴乙酰溴 、 2,4,6-三氯苯胺 在 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以77%的产率得到2-bromo-N-(2,4,6-trichlorophenyl)acetamide
  参考文献：
  名称：

  [EN] ANTI-DIABETIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHOD TO TREAT DIABETES
  [FR] COMPOSÉS ANTI-DIABÉTIQUES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET MÉTHODE DE TRAITEMENT DU DIABÈTE

  摘要：

  描述了一种化合物I的化合物，以及含有这些化合物中的一个或多个的抗高血糖药物组合物，以及使用这些化合物和/或组合物治疗糖尿病的方法。本文还披露了一种用于治疗糖尿病的药物组合物，该组合物包括本文披露的一种化合物的抗高血糖有效量，或其药学上适当的盐，与药用载体结合。

  公开号：

  WO2015142670A1

文献信息

• NOVEL ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP1020451A1

  公开（公告）日：2000-07-19

  The invention relates to a novel anilide compound and a pharmaceutical composition comprising the same. The invention relates to a compound represented by the following general formula:    represents a divalent residue of benzene with a substituent(s), heterocycle-condensed benzene which may or may not have a substituent, pyridine which may or may not have a substituent, cyclohexane or naphthalene or Ar represents an aryl group which may or may not have a substituent; X represents -NH-, oxygen atom or sulfur atom; Y represents -NR4-, oxygen atom, sulfur atom, sulfoxide or sulfone; Z represents single bond or -NR5-; R4 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; R5 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; and n represents an integer of 0 to 15. The inventive compounds are useful in the form of pharmaceutical composition, specifically as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitor.

  本发明涉及一种新型苯胺化合物和含有该化合物的药物组合物。本发明涉及由以下通式代表的化合物： 代表带有取代基的苯、可能带有也可能不带取代基的杂环缩合苯、可能带有也可能不带取代基的吡啶、环己烷或萘的二价残基 或 Ar 代表芳基，可以有取代基，也可以没有取代基； X 代表-NH-、氧原子或硫原子； Y 代表-NR4-、氧原子、硫原子、亚砜或砜； Z 代表单键或-NR5-； R4 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可带有或不带有取代基； R5 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可以有或没有取代基；以及 n 代表 0 至 15 的整数。 本发明化合物以药物组合物的形式使用，特别是作为酰基辅酶 A 胆固醇酰基转移酶（ACAT）抑制剂。
• Novel anilide compounds and drugs containing the same
  申请人：Kowa Company, Ltd.,Japan

  公开号：US20020099074A1

  公开（公告）日：2002-07-25

  The invention relates to a novel anilide compound and a pharmaceutical composition comprising the same. The invention relates to a compound represented by the following general formula: 1 represents a divalent residue of benzene with a substituent(s), heterocycle-condensed benzene which may or may not have a substituent, pyridine which may or may not have a substituent, cyclohexane or naphthalene 2 Ar represents an aryl group which may or may not have a substituent, X represents —NH—, oxygen atom or sulfur atom; Y represents —NR 4 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z represents single bond or —NR 5 —; R 4 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; R 5 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; and n represents an integer of 0 to 15. The inventive compounds are useful in the form of pharmaceutical composition, specifically as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitor.

  本发明涉及一种新型苯胺化合物和含有该化合物的药物组合物。本发明涉及一种由以下通式表示的化合物： 1 代表带有取代基的苯、可以带有或不带有取代基的杂环缩合苯、可以带有或不带有取代基的吡啶、环己烷或萘的二价残基 2 Ar 代表芳基，可以有取代基，也可以没有取代基、 X 代表-NH-、氧原子或硫原子； Y 代表-NR 4 -、氧原子、硫原子、亚砜或砜； Z 代表单键或-NR 5 -; R 4 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可带有或不带有取代基； R 5 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可带有或不带有取代基；以及 n 代表 0 至 15 的整数。 本发明化合物以药物组合物的形式使用，特别是作为酰基辅酶 A 胆固醇酰基转移酶（ACAT）抑制剂。
• Discovery of 3-Methyl-<i>N</i>-(1-oxy-3‘,4‘,5‘,6‘-tetrahydro-2‘<i>H</i>-[2,4‘-bipyridine]-1‘-ylmethyl)benzamide (ABT-670), an Orally Bioavailable Dopamine D₄ Agonist for the Treatment of Erectile Dysfunction
  作者：Meena V. Patel、Teodozyj Kolasa、Kathleen Mortell、Mark A. Matulenko、Ahmed A. Hakeem、Jeffrey J. Rohde、Sherry L. Nelson、Marlon D. Cowart、Masaki Nakane、Loan N. Miller、Marie E. Uchic、Marc A. Terranova、Odile F. El-Kouhen、Diana L. Donnelly-Roberts、Marian T. Namovic、Peter R. Hollingsworth、Renjie Chang、Brenda R. Martino、Jill M. Wetter、Kennan C. Marsh、Ruth Martin、John F. Darbyshire、Gary Gintant、Gin C. Hsieh、Robert B. Moreland、James P. Sullivan、Jorge D. Brioni、Andrew O. Stewart

  DOI：10.1021/jm060662k

  日期：2006.12.1

  The goal of this study was to identify a structurally distinct D-4-selective agonist with superior oral bioavailability to our first-generation clinical candidate 1a (ABT-724) for the potential treatment of erectile dysfunction. Arylpiperazines such as (heteroarylmethyl) piperazine 1a, benzamide 2, and acetamides such as 3a,b exhibit poor oral bioavailability. Structure-activity relationship (SAR) studies with the arylpiperidine template provided potent partial agonists such as 4d and 5k that demonstrated no improvement in oral bioavailability. Further optimization with the (N-oxy-2-pyridinyl) piperidine template led to the discovery of compound 6b (ABT-670), which exhibited excellent oral bioavailability in rat, dog, and monkey (68%, 85%, and 91%, respectively) with comparable efficacy, safety, and tolerability to 1a. The N-oxy-2-pyridinyl moiety not only provided the structural motif required for agonist function but also reduced metabolism rates. The SAR study leading to the discovery of 6b is described herein.
• Discovery of piperidin-4-yl-aminopyrimidine derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
  作者：Zheng-Yong Wan、Jin Yao、Yuan Tao、Tian-Qi Mao、Xin-Long Wang、Yi-Pei Lu、Hai-Feng Wang、Hong Yin、Yan Wu、Fen-Er Chen、Erik De Clercq、Dirk Daelemans、Christophe Pannecouque

  DOI：10.1016/j.ejmech.2015.04.050

  日期：2015.6

  A novel series of piperidin-4-yl-aminopyrimidine derivatives were designed fusing the pharmacophore templates of etravirine VRX-480773 hybrids our group previously described and piperidine-linked aminopyrimidines. Most compounds displayed significantly improved activity against wild-type HIV-1 with EC50 values in single-digit nanomolar concentrations compared to etravirine VRX-480773 hybrids. Selected compounds were also evaluated for activity against reverse transcriptase, and had lower IC50 values than that of nevirapine. The improved potency observed in this in vitro model of HIV RNA replication partly validates the mechanism by which this class of allosteric pyrimidine derivatives inhibits reverse transcriptase, and represents a remarkable step forward in the development of AIDS therapeutics. (C) 2015 Elsevier Masson SAS. All rights reserved.
• Exploration of inhibitors of the bacterial LexA repressor-protease
  作者：Ana Victoria Cheng Jaramillo、Michael B. Cory、Allen Li、Rahul M. Kohli、William M. Wuest

  DOI：10.1016/j.bmcl.2022.128702

  日期：2022.6