N-[2-(isopropylamino)-2-oxoethyl]benzamide | 100253-62-1

• 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: N-[2-(isopropylamino)-2-oxoethyl]benzamide
• 英文别名: Hippursaeure-N-isopropylamid；hippuric acid isopropylamide；Hippursaeure-isopropylamid；N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
• CAS: 100253-62-1
• 化学式: C₁₂H₁₆N₂O₂
• mdl: MFCD00711361
• 分子量: 220.271
• InChiKey: DFGDKLUOFVHEOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  马尿酸 在 乙酸乙酯 、 三乙胺 作用下， 生成 N-[2-(isopropylamino)-2-oxoethyl]benzamide
  参考文献：
  名称：

  关于活化的酯。三，氨基酸和肽衍生物的活化酯与胺和氨基酸酯的反应

  摘要：

  使许多氨基酸和肽衍生物的活化酯与各种有机胺，包括氨基酸酯反应。获得的良好收率和温和的反应条件使得活化的酯化酰化方法似乎可以在肽合成中很好地使用。芳香胺和仲胺的氨解仅缓慢进行，但是通过强叔胺和酸的催化作用可大大促进该反应。

  DOI：

  10.1002/hlca.19550380111

文献信息

• [EN] COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DU RÉCEPTEUR A2B DE L'ADÉNOSINE ET DU RÉCEPTEUR A2A DE L'ADÉNOSINE
  申请人：CORVUS PHARMACEUTICALS INC

  公开号：WO2019046784A1

  公开（公告）日：2019-03-07

  Disclosed herein, inter alia, are compositions and methods for modulating Adenosine Receptors. In an aspect is provided a method of inhibiting Adenosine A2B Receptor activity and Adenosine A2A Receptor activity, the method including contacting the Adenosine A2B Receptor and Adenosine A2A Receptor with a compound as described herein, including embodiments.

  在此披露的内容包括调节腺苷受体的组合物和方法。在一个方面，提供了一种抑制腺苷A2B受体活性和腺苷A2A受体活性的方法，该方法包括将腺苷A2B受体和腺苷A2A受体与本文描述的化合物接触，包括各种实施方式。
• Synthesis, biological activity screening and molecular modeling study of acylaminoacetamide derivatives
  作者：Gunes Coban、Fadime Aydin Kose、Petek Ballar Kirmizibayrak、Varol Pabuccuoglu

  DOI：10.1007/s00044-015-1419-4

  日期：2015.10

  In this study, non-rigid analogs of thalidomide have been designed in order to develop potentially active, more effective and safer lead molecules for disorders caused or contributed by inflammation. Five different series of acylaminoacetamide compounds were synthesized, and the biological inhibitory potency of the title compounds has been determined by evaluating their effects on COX-2 isoenzyme expression and PGE(2) production in A549 (human lung adenocarcinoma) cell lines. Among the studied series, N-[2-(isopropylamino)-2-oxoethyl]isonicotinamide is the most active inhibitory compound on COX-2 isoenzyme expression, and N-[2-oxo-2-(pyrolydine-1-yl)etyl]isonicotinamide is the most active inhibitory compound on the biosynthesis of PGE(2). Molecular docking studies and molecular dynamics simulations were also applied to investigate non-covalent interactions of the most active compounds inside the active side of the crystal structure of murine cyclooxygenase 2 (mCOX-2) isoenzyme.
• 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS
  申请人：N.V. Organon

  公开号：EP1861380A1

  公开（公告）日：2007-12-05
• QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES
  申请人：N.V. Organon

  公开号：EP2069315A2

  公开（公告）日：2009-06-17
• [EN] 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS<br/>[FR] 2- (4-0X0-4H-QUINAZ0LIN-3-YL)ACETAMIDES ET LEUR UTILISATION EN TANT QU'ANTAGONISTE V3 DE LA VASOPRESSINE
  申请人：AKZO NOBEL NV

  公开号：WO2006095014A1

  公开（公告）日：2006-09-14

  [EN] The present invention relates to 2-(4-oxo4H-quinazolin-3-yl)acetamicle derivatives of formula (I), and to their use as vasopressin V3 antagonists, particularly for the treatment of depression.
  [FR] La présente invention concerne des dérivés de 2-(4-oxo4H-quinazolin-3-yl)acétamide de formule I, et leur utilisation en tant qu'antagonistes V3 de la vasopressine, en particulier pour le traitement de la dépression