N-(thiophen-2-ylmethyl)butyramide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-(thiophen-2-ylmethyl)butyramide
• 英文别名: N-[(thiophen-2-yl)methyl]butanamide；N-(thiophen-2-ylmethyl)butanamide
• 化学式: C₉H₁₃NOS
• mdl: MFCD03395439
• 分子量: 183.274
• InChiKey: GQINGVFITOTQOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-噻吩甲胺 、 丁酸甲酯 在 calcium iodide 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以75%的产率得到N-(thiophen-2-ylmethyl)butyramide
  参考文献：
  名称：

  Chemoselective calcium-catalysed direct amidation of carboxylic esters

  摘要：

  廉价、无毒且对环境友好的CaI₂催化剂可在优异收率下直接催化未活化的羧酸酯与一级胺之间的酰胺键形成。

  DOI：

  10.1039/c5ra18288c

文献信息

• C–N Coupling of Amides with Alcohols Catalyzed by N-Heterocyclic Carbene–Phosphine Iridium Complexes
  作者：Sutthichat Kerdphon、Xu Quan、Vijay Singh Parihar、Pher G. Andersson

  DOI：10.1021/acs.joc.5b01324

  日期：2015.11.20

  N-Heterocyclic carbene–phosphine iridium complexes (NHC–Ir) were developed/found to be a highly reactive catalyst for N-monoalkylation of amides with alcohols via hydrogen transfer. The reaction produced the desired product in high isolated yields using a wide range of substrates with low catalyst loading and short reaction times.

  已开发/发现N-杂环卡宾-膦铱络合物（NHC-Ir）是一种高反应活性的催化剂，可通过氢转移将酰胺与醇进行N-单烷基化。使用催化剂负载量低且反应时间短的多种底物，该反应以高分离产率得到所需产物。
• beta-sheet mimetics and composition and methods relating thereto
  申请人：Myriad Pharmaceuticals, Inc.

  公开号：US20040014763A1

  公开（公告）日：2004-01-22

  Compounds having the following structure: 1 including pharmaceutically acceptable salts and stereoisomers thereof, wherein A, A′, B, X, Y, R 2 , R 3 , R 4 and R 5 are as defined herein. Such compounds have utility over a wide range of applications, including use as diagnostic and therapeutic agents. In particular, compounds of this invention, and pharmaceutical compositions containing such compounds, are tryptase antagonists.

  具有以下结构的化合物：1，包括药用可接受的盐及其立体异构体，其中A、A'、B、X、Y、R2、R3、R4和R5如本文所定义。这些化合物在广泛的应用范围内具有实用性，包括用作诊断和治疗剂。特别是，本发明的化合物和含有这些化合物的药物组合物是色胺酸蛋白酶抑制剂。
• [EN] BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS<br/>[FR] DÉRIVÉS DE BIARYL AMIDE OU D'URÉE EN TANT QUE LIGANDS DE TRPV1
  申请人：UNIV SIENA

  公开号：WO2015162216A1

  公开（公告）日：2015-10-29

  The present invention relates to high affinity compounds, able to bind the transient receptor potential cation channel, subfamily Vanilloid, type 1 or TRPV1. Being this receptor involved in pain processing and neurogenic inflammatory responses and being up-regulated during chronic pain conditions, the compounds of the invention find particular application in all medical conditions involving said receptors, in particular as agents for pain therapy and/or anti-inflammatory and/or cluster headache therapy and/or anti-oxidant and/or anti-cancer therapy. Moreover, the chemical structure of these compounds provides the opportunity of developing new radiotracers for Positron Emission Tomography (PET) imaging. These radiotracers are of great relevance for mapping TRPV1 receptors in (patho)physiological conditions.

  本发明涉及高亲和力化合物，能够结合瞬时受体电位阳离子通道，亚家族Vanilloid，类型1或TRPV1。由于这种受体参与疼痛处理和神经源性炎症反应，并且在慢性疼痛情况下上调，本发明的化合物在涉及该受体的所有医学状况中找到特定应用，特别是作为疼痛治疗和/或抗炎疗法和/或群集性头痛治疗和/或抗氧化剂和/或抗癌疗法的药物。此外，这些化合物的化学结构为开发新的正电子发射断层扫描（PET）成像的放射示踪剂提供了机会。这些放射示踪剂对于在（病理）生理条件下映射TRPV1受体具有重要意义。
• Integrin activator checkpoint inhibitor compositions
  申请人：7 Hills Pharma LLC

  公开号：US10709781B2

  公开（公告）日：2020-07-14

  Methods for priming of vaccines including administering to a patient a composition including one or more integrin activating compounds capable of adjuvanting an antigen and capable of adjuvanting one or more antigens contained in a vaccine preparation.

  为疫苗打底的方法，包括向患者施用一种组合物，该组合物包括一种或多种能够佐剂抗原的整合素激活化合物，以及能够佐剂疫苗制剂中所含的一种或多种抗原的整合素激活化合物。
• Methods of administering novel integrin activator vaccine compositions
  申请人：7 Hills Pharma LLC

  公开号：US10716849B2

  公开（公告）日：2020-07-21

  Methods for priming of vaccines including administering to a patient a composition including one or more integrin activating compounds capable of adjuvanting an antigen and capable of adjuvanting one or more antigens contained in a vaccine preparation.

  为疫苗打底的方法，包括向患者施用一种组合物，该组合物包括一种或多种能够佐剂抗原的整合素激活化合物，以及能够佐剂疫苗制剂中所含的一种或多种抗原的整合素激活化合物。