AT-61 | 300669-68-5

• 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: AT-61
• 英文别名: (E)-N-(1-chloro-3-oxo-1-phenyl-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide；1-[(E)-1-oxo-2-(benzoylamino)-3-phenyl-3-chloropropenyl]piperidine；Benzamide, N-(2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-；N-[(E)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
• CAS: 300669-68-5
• 化学式: C₂₁H₂₁ClN₂O₂
• 分子量: 368.863
• InChiKey: FGCZYICKZZNEEU-VHEBQXMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-benzylidene-2-phenyloxazole-5(4H)-one 在 磺酰氯 作用下， 以 氯仿 为溶剂， 生成 (Z)-N-哌啶基-2-苯甲酰胺基-3-氯-3-苯基-2-丙烯酰胺 、 AT-61
  参考文献：
  名称：

  Phenylpropenamide derivatives: Anti-hepatitis B virus activity of the Z isomer, SAR and the search for novel analogs

  摘要：

  Phenylpropenamides have been reported to be a class of non-nucleoside inhibitors of the hepatitis B virus (HBV). This class of compounds was explored with the objective of developing potent anti-HBV agents, with a novel mechanism of action, that could be combined with nucleos(t) ide analogs currently used to treat HBV infection. To accomplish this objective a series of substituted arylpropenamide derivatives were prepared and the E and Z geometrical isomers were separated. The structural identity of each of the E and Z isomers was determined by single crystal X-ray crystallography. Contrary to previous reports, the activity of this class of molecules resides in the Z isomer. Further structure-activity relationship studies around the active Z isomer identified compounds that displayed potent antiviral activity against HBV with EC90 value of approximately 0.5 mu M in vitro. Attempts to develop ring constrained analogs did not lead to active HBV inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.077

文献信息

• AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  申请人：Novira Therapeutics, Inc.

  公开号：US20150197493A1

  公开（公告）日：2015-07-16

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS D'OXADIAZÉPINONE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS PAR L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2018005881A1

  公开（公告）日：2018-01-04

  Provided herein are compounds of formula (IA) and (III) useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了公式（IA）和（III）的化合物，用于治疗需要治疗HBV感染的受试者，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B<br/>[FR] DÉRIVÉS DE SULFAMOYLARYLAMIDE CYCLISÉS ET LEUR UTILISATION À TITRE DE MÉDICAMENTS POUR LE TRAITEMENT DE L'HÉPATITE B
  申请人：JANSSEN SCIENCES IRELAND UC

  公开号：WO2017001655A1

  公开（公告）日：2017-01-05

  Inhibitors of HBV replication of Formula (I-A), including stereochemically isomeric forms, and salts, hydrates, solvates thereof, wherein Ra to Rd, and R1 to R8 have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them and their use, alone or in combination with other HBV inhibitors, in HBV therapy.

  乙肝病毒复制抑制剂公式(I-A)，包括立体化学异构体以及它们的盐、水合物、溶剂化物，其中Ra至Rd和R1至R8的含义如本文所述。本发明还涉及制备所述化合物的方法、含有它们的药物组合物以及它们单独使用或与其他乙肝病毒抑制剂结合在乙肝病毒治疗中的用途。
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2013096744A1

  公开（公告）日：2013-06-27

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种抑制、压制或预防需要的人体内HBV感染的方法，包括向个体投给治疗有效量的至少一种本发明的化合物。
• [EN] DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS<br/>[FR] AZÉPANES DI-FLUORÉS EN TANT QUE MODULATEURS DE L'ASSEMBLAGE DE LA CAPSIDE DU VHB
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020239862A1

  公开（公告）日：2020-12-03

  Disclosed are compounds, compositions and methods for treating of diseases,syndromes, conditions, and disorders that are affected by the modulation of CAM1. Such compounds are represented by Formula (I) as follows: (I).Wherein R1a, R1b, R2, R3, R4, and X, are defined herein.

  揭示了一种通过调节CAM1来治疗受影响的疾病、综合症、状况和紊乱的化合物、组合物和方法。这些化合物由以下式（I）表示：（I）。其中R1a、R1b、R2、R3、R4和X在此处被定义。