N-(2-(2-(2-aminoethoxy)ethoxy)-ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide | 1207751-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-(2-(2-(2-aminoethoxy)ethoxy)-ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
• 英文别名: N'-(3-maleimidopropionyl)-3,6-dioxaoctane-1,8-diamine；N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide；N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• CAS: 1207751-12-9
• 化学式: C₁₃H₂₁N₃O₅
• 分子量: 299.327
• InChiKey: VGJOPSXCTNQTGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(2-(2-(2-aminoethoxy)ethoxy)-ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide 、 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以30%的产率得到C₈₂H₁₀₀Cl₂N₁₂O₂₈S
  参考文献：
  名称：

  万古霉素-LPS 结合肽偶联物的设计、合成和抗菌评价

  摘要：

  随着耐药性的紧急情况，迫切需要开发新型抗生素。万古霉素是治疗难治性革兰氏阳性菌感染的最后手段，对革兰氏阴性菌和万古霉素耐药菌无效。在此，我们报告了一系列带有 LPS 结合肽、万古霉素-LPS 结合肽偶联物 (VPC) 的新型万古霉素衍生物。LPS 结合肽通过 CuAAC 或马来酰亚胺-巯基添加缀合到万古霉素的 4 个位点上，并针对 VISA/VRE 和革兰氏阴性菌株筛选形成的 VPC。VPCs对万古霉素耐药菌表现出增强的活性，并在体外获得了对革兰氏阴性菌的活性，为万古霉素的修饰和糖肽类抗生素的合成提供了新的策略。

  DOI：

  10.1016/j.bmcl.2021.128122
• 作为产物：
  描述：

  tert-butyl (2-(2-(2-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)ethoxy)ethoxy)ethyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以80%的产率得到N-(2-(2-(2-aminoethoxy)ethoxy)-ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
  参考文献：
  名称：

  基于14N含咪唑基团在水质子上诱导的弛豫增强作用的新型1H-MRI造影剂

  摘要：

  这项研究报告了一种全新的MRI造影剂的开发，在没有顺磁性金属离子的情况下显示出显着的松弛效果。它们的检测需要以快速磁场循环成像扫描仪提供的可变磁场强度采集图像。它们包含聚组氨酸链（poly-His），其咪唑基团可产生14个N四极峰会导致水质子在一个频率（1.38±0.3 MHz）处的弛豫增强，该频率很容易从与内源蛋白质相关的频率中检测到。仅当聚合物呈固态时，即在pH> 6.6时，才能检测到poly-His四极峰。高于此值，它们的强度取决于pH，可用于报告发生的pH变化。在此基础上，将聚His部分与生物相容性聚合物（例如聚乳酸和乙醇酸）缀合，以形成能够将结构化水封装在其核心中的稳定纳米颗粒。获取FFC图像以评估其对比度生成能力。

  DOI：

  10.1002/anie.202011513

文献信息

• IMMUNOGENIC COMPOSITIONS COMPRISING SBI PROTEIN AND USES THEREOF
  申请人：THE UNIVERSITY OF BATH

  公开号：US20190282683A1

  公开（公告）日：2019-09-19

  The invention relates to methods and compositions for use in stimulating an immune response against a target antigen. More specifically, it relates to use of domains III and IV of the Staphylococcal Sbi protein as an immunological adjuvant, for enhancing an immune response against a target antigen.
• [EN] SYNTHETIC LINEAR APELIN MIMETICS FOR THE TREATMENT OF HEART FAILURE<br/>[FR] MIMÉTIQUES D'APÉLINE LINÉAIRE SYNTHÉTIQUE POUR LE TRAITEMENT D'UNE INSUFFISANCE CARDIAQUE
  申请人：NOVARTIS AG

  公开号：WO2014081702A2

  公开（公告）日：2014-05-30

  The invention provides a synthetic polypeptide of Formula I': or an amide, an ester or a salt thereof, or a bioconjugate thereof, wherein X1, X2, X3, X5, X6, X7, X8, X9, X10, X11, X12 and X13 are defined herein. The polypeptides or bioconjugates thereof are agonist of the APJ receptor. The invention also relates to a method for manufacturing the polypeptides or bioconjugates of the invention, and its therapeutic uses such as treatment or prevention of acute decompensated heart failure (ADHF), chronic heart failure, pulmonary hypertension, atrial fibrillation, Brugada syndrome, ventricular tachycardia, atherosclerosis, hypertension, restenosis, ischemic cardiovascular diseases, cardiomyopathy, cardiac fibrosis, arrhythmia, water retention, diabetes (including gestational diabetes), obesity, peripheral arterial disease, cerebrovascular accidents, transient ischemic attacks, traumatic brain injuries, amyotrophic lateral sclerosis, burn injuries (including sunburn) and preeclampsia. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.
• [EN] DISULFIDE CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE<br/>[FR] POLYPEPTIDES CYCLIQUE DISULFURE POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE
  申请人：NOVARTIS AG

  公开号：WO2015013167A1

  公开（公告）日：2015-01-29

  The invention provides a synthetic polypeptide of Formula I': X1-R-P-R-X5-X6-X7-K-X9-P-X11-X12-X13 or an amide, an ester, a salt or a bioconjugate thereof, wherein X1, X5, X6, X7, X9 and X11 to X13 are defined herein. The polypeptides and bioconjugates are agonist of the APJ receptor. The invention also relates to a method for manufacturing the polypeptides or bioconjugates of the invention, and its therapeutic uses such as treatment or prevention of acute decompensated heart failure (ADHF), chronic heart failure, pulmonary hypertension, atrial fibrillation, Brugada syndrome, ventricular tachycardia, atherosclerosis, hypertension, restenosis, ischemic cardiovascular diseases, cardiomyopathy, cardiac fibrosis, arrhythmia, water retention, diabetes (including gestational diabetes), obesity, peripheral arterial disease, cerebrovascular accidents, transient ischemic attacks, traumatic brain injuries, amyotrophic lateral sclerosis, burn injuries (including sunburn) and preeclampsia. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.
• [EN] CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE<br/>[FR] POLYPEPTIDES CYCLIQUES POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE
  申请人：NOVARTIS AG

  公开号：WO2015013168A1

  公开（公告）日：2015-01-29

  The invention provides a cyclic polypeptide of Formula I': I or an amide, an ester or a salt thereof, or a bioconjugate thereof, wherein X1, X3, X4, X7, X8, X9, X10, X11, X12 and X13 are defined herein. The polypeptides are agonist of the APJ receptor. The invention also relates to a method for manufacturing the polypeptides of the invention or bioconjugates thereof, and their therapeutic uses such as treatment or prevention of acute decompensated heart failure (ADHF), chronic heart failure, pulmonary hypertension, atrial fibrillation, Brugada syndrome, ventricular tachycardia, atherosclerosis, hypertension, restenosis, ischemic cardiovascular diseases, cardiomyopathy, cardiac fibrosis, arrhythmia, water retention, diabetes (including gestational diabetes), obesity, peripheral arterial disease, cerebrovascular accidents, transient ischemic attacks, traumatic brain injuries, amyotrophic lateral sclerosis, burn injuries (including sunburn) and preeclampsia. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.
• [EN] CYCLIC APELIN DERIVATIVES FOR THE TREATMENT OF HEART FAILURE<br/>[FR] DÉRIVÉS CYCLIQUES DE L'APELINE POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE
  申请人：NOVARTIS AG

  公开号：WO2015013165A1

  公开（公告）日：2015-01-29

  The invention provides a synthetic polypeptide of Formula I': X1-R-X3-R-L-X6-X7-K-X9-P-X11-X12-X13 or an amide, an ester, a salt thereof, or a bioconjugate thereof, wherein X1, X3, X6, X7, X9, X11, X12 and X13 are defined herein. The polypeptides and bioconjugates are agonist of the APJ receptor. The invention also relates to a method for manufacturing the polypeptides and bioconjugates of the invention, and its therapeutic uses such as treatment or prevention of acute decompensated heart failure (ADHF), chronic heart failure, pulmonary hypertension, atrial fibrillation, Brugada syndrome, ventricular tachycardia, atherosclerosis, hypertension, restenosis, ischemic cardiovascular diseases, cardiomyopathy, cardiac fibrosis, arrhythmia, water retention, diabetes (including gestational diabetes), obesity, peripheral arterial disease, cerebrovascular accidents, transient ischemic attacks, traumatic brain injuries, amyotrophic lateral sclerosis, burn injuries (including sunburn) and preeclampsia. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.