methyl 4-([1,1′-biphenyl]-2-ylcarboxamido)benzoate | 180340-04-9

• 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: methyl 4-([1,1′-biphenyl]-2-ylcarboxamido)benzoate
• 英文别名: methyl 4-[(biphenyl-2-carbonyl)-amino]-benzoate；methyl 4-[([1,1'-biphenyl]-2-carbonyl)amino]benzoate；methyl 4-[(2-phenylbenzoyl)amino]benzoate
• CAS: 180340-04-9
• 化学式: C₂₁H₁₇NO₃
• 分子量: 331.371
• InChiKey: QTKZKJYQOQRSHI-UHFFFAOYSA-N

物化性质

• 沸点：
  450.3±38.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-([1,1′-biphenyl]-2-ylcarboxamido)benzoate 在 desired product 作用下， 以 乙醇 、 sodium hydroxide 为溶剂， 反应 8.0h， 以to give 2.9 g of the desired product as a solid m.p. 246°-249° C的产率得到4-(2-苯基苯甲酰胺基)苯甲酸
  参考文献：
  名称：

  Tricyclic benzazepine vasopressin antagonists

  摘要：

  一般式为I的三环化合物：##STR1##，在此定义下表现出V.sub.1和/或V.sub.2受体的拮抗活性，并且在体内表现出抗利尿激素拮抗活性，使用这种化合物治疗由于肾脏过度重吸水而表现出的疾病的方法，以及制备这种化合物的方法。

  公开号：

  US05753648A1
• 作为产物：
  描述：

  4-氨基苯甲酸甲酯 、 二氢-3-(异十二碳烯基)呋喃-2,5-二酮 在 氯化亚砜 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.75h， 以93%的产率得到methyl 4-([1,1′-biphenyl]-2-ylcarboxamido)benzoate
  参考文献：
  名称：

  Selective Fluorescent Nonpeptidic Antagonists For Vasopressin V₂ GPCR: Application To Ligand Screening and Oligomerization Assays.

  摘要：

  A series of fluorescent benzazepine ligands for the arginine-vasopressin V-2 receptor (AVP V2R) was synthesized using "Click" chemistry. Their in vitro pharmacological profile at AVP V2R, V1aR, V1bR, and oxytocin receptor was measured by binding assay and functional studies. Compound 9p, labeled with Lissamine Rhodamine B using novel solid-phase organic tagging (SPOrT) resin, exhibited a high affinity for V2R (4.0 nM), an excellent selectivity toward V2R and antagonist properties. By changing the nature of the dye, DY647 and Lumi4-Tb probes 44 and 47 still display a high affinity for V2R (5.6 and 5.8 nM, respectively). These antagonists constitute the first high-affinity selective nonpeptidic fluorescent ligands for V2R. They enabled the development of V2R time-resolved FRET-based assay readily amenable to high-throughput screening. Taking advantage of their selectivity, these compounds were also successfully involved in the study of V1aR-V2R dimerization on cell surface.

  DOI：

  10.1021/jm3006146

文献信息

• Tricyclic benzazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05532235A1

  公开（公告）日：1996-07-02

  Tricyclic compound of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and process for preparing such compounds.

  通用式I的三环化合物：##STR1##，如本文所定义，在V.sub.1和/或V.sub.2受体表现出拮抗活性，并在体内表现出抗利尿素拮抗活性，使用这类化合物治疗以肾脏过度重吸水为特征的疾病的方法，以及制备这类化合物的方法。
• Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives
  申请人：——

  公开号：US20040259857A1

  公开（公告）日：2004-12-23

  Novel spirobenzoazepine compounds, novel processes for the preparation of nonpeptide substituted spirobenzoazepine derivatives, and novel processes for the preparation of intermediates in the preparation of such derivatives. Novel intermediates in the preparation of nonpeptide substituted spirobenzoazepine derivatives.

  新型螺合苯并氮杂环庚烷化合物，用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新工艺，以及用于制备这类衍生物制备中间体的新工艺。用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新中间体。
• TBAB-Mediated Radical 5<i>-exo-trig ipso</i> -Cyclization of 2-Arylbenzamide for the Synthesis of Spiro[cyclohexane-1,1′-isoindoline]-2,5-diene-3′,4-dione
  作者：Guanyinsheng Qiu、Zhi-Feng Chen、Wenlin Xie、Hongwei Zhou

  DOI：10.1002/ejoc.201900321

  日期：2019.7.23

  Radical ipso‐cyclization: a TBAB‐mediated radical 5‐exo‐trig ipso‐cyclization of N‐aryl‐2‐arylbenzamide is described in this paper.

  自由基ipso环化：本文描述了TBAB介导的N -2-芳基-2-芳基苯甲酰胺的自由基5 exo-trig ipso环化。
• PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES
  申请人：Deng Xiaohu

  公开号：US20090105220A1

  公开（公告）日：2009-04-23

  Novel spirobenzoazepine compounds, novel processes for the preparation of nonpeptide substituted spirobenzoazepine derivatives, and novel processes for the preparation of intermediates in the preparation of such derivatives. Novel intermediates in the preparation of nonpeptide substituted spirobenzoazepine derivatives.

  新型螺苯并氮杂环化合物，制备非肽取代螺苯并氮杂环衍生物的新型方法，以及制备此类衍生物的中间体的新型方法。制备非肽取代螺苯并氮杂环衍生物的新型中间体。
• TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS
  申请人：American Cyanamid Company

  公开号：EP0804438A1

  公开（公告）日：1997-11-05