2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide | 709010-11-7

• 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-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• CAS: 709010-11-7
• 化学式: C₂₁H₁₄ClN₃O₂
• 分子量: 375.814
• InChiKey: WBYRHHSGTGEDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-硝基苯基)-5-苯基-1,3,4-恶二唑 在 吡啶 、 溶剂黄146 、 锌 作用下， 以 二氯甲烷 为溶剂， 生成 2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
  参考文献：
  名称：

  Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit

  摘要：

  A bis-amide antagonist of Smoothened, a seven-transmembrane receptor in the Hedgehog signaling pathway, was discovered via high throughput screening. In vitro and in vivo experiments demonstrated that the bis-amide was susceptible to N-acyl transferase mediated amide scission. Several bioisosteric replacements of the labile amide that maintained in vitro potency were identified and shown to be metabolically stable in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.052

文献信息

• [EN] N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION<br/>[FR] 4-(5-PHÉNYL-1,3,4-OXADIAZOL-2-YL)ANILINE N-SUBSTITUÉE POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2022112139A1

  公开（公告）日：2022-06-02

  The present invention provides novel compounds having the general formula (I) wherein R1to R3are as described herein, or a pharmaceutically acceptable salt thereof, compositions including the compounds and methods of using the compounds.

  本发明提供了具有一般式（I）的新化合物，其中R1到R3如本文所述，或其药学上可接受的盐，包括这些化合物的组合物和使用这些化合物的方法。
• INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS
  申请人：TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20160122362A1

  公开（公告）日：2016-05-05

  Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type 1 are identified and methods of use as anti-parasitic compounds are provided.
• US9695193B2
  申请人：——

  公开号：US9695193B2

  公开（公告）日：2017-07-04
• [EN] INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS<br/>[FR] INHIBITEURS DU TRANSPORTEUR DE NUCLÉOSIDES ÉQUILIBRANT DE TYPE 1 DE PLASMODIUM FALCIPARUM EN TANT QUE COMPOSÉS ANTI-PARASITAIRES
  申请人：UNIV COLUMBIA

  公开号：WO2014210319A2

  公开（公告）日：2014-12-31

  Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type 1 are identified and methods of use as anti-parasitic compounds are provided.