fumaryl chloride

• 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: fumaryl chloride
• 英文别名: (E)-4-chloro-4-oxobut-2-enoic acid
• 化学式: C₄H₃ClO₃
• 分子量: 134.519
• InChiKey: AQGMJUDZABJUBH-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pantetheine dimethyl ketal 、 fumaryl chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以7.6%的产率得到(2E)-4-oxo-4-[[2-(3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]formamido]propanamido)ethyl]sulfanyl]but-2-enoic acid
  参考文献：
  名称：

  WO2020113209A5

  摘要：

  公开号：

  WO2020113209A5
• 作为产物：
  描述：

  富马酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 fumaryl chloride
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES
  [FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DE MALADIES NEUROLOGIQUES

  摘要：

  该发明涉及化合物或其药用可接受的多型体、溶剂合物、对映体、立体异构体及其水合物。包括化合物I、化合物II和化合物III的有效量的药物组合物，以及用于治疗神经系统疾病的方法可以制成口服、颊下、直肠、局部、经皮、经粘膜、含片、喷雾、静脉注射、口服溶液、鼻喷雾、口服溶液、悬浮液、口腔喷雾、颊下粘膜层片剂、肠外给药、糖浆或注射剂。这些组合物可用于治疗神经系统疾病。

  公开号：

  WO2019186357A1

文献信息

• Towards small molecule inhibitors of mono-ADP-ribosyltransferases
  作者：Torun Ekblad、Anders E.G. Lindgren、C. David Andersson、Rémi Caraballo、Ann-Gerd Thorsell、Tobias Karlberg、Sara Spjut、Anna Linusson、Herwig Schüler、Mikael Elofsson

  DOI：10.1016/j.ejmech.2015.03.067

  日期：2015.5

  Protein ADP-ribosylation is a post-translational modification involved in DNA repair, protein degradation, transcription regulation, and epigenetic events. Intracellular ADP-ribosylation is catalyzed predominantly by ADP-ribosyltransferases with diphtheria toxin homology (ARTDs). The most prominent member of the ARTD family, poly(ADP-ribose) polymerase-1 (ARTD1/PARP1) has been a target for cancer drug development for decades. Current PARP inhibitors are generally non-selective, and inhibit the mono-ADP-ribosyltransferases with low potency. Here we describe the synthesis of acylated amino benzamides and screening against the mono-ADP-ribosyltransferases ARTD7/PARP15, ARTD8/PARP14, ARTD10/PARP10, and the poly-ADP-ribosyltransferase ARTD1/PARP1. The most potent compound inhibits ARTD10 with sub-micromolar IC50. (C) 2015 The Authors. Published by Elsevier Masson SAS.
• [EN] IMPLANTABLE TISSUE COMPOSITIONS AND METHOD<br/>[FR] COMPOSITIONS TISSULAIRES IMPLANTABLES ET PROCEDE
  申请人：PATHAK CHANDRASHEKHAR P

  公开号：WO2006026325A3

  公开（公告）日：2009-04-09
• On-Bead Screening of a Combinatorial Fumaric Acid Derived Peptide Library Yields Antiplasmodial Cysteine Protease Inhibitors with Unusual Peptide Sequences
  作者：Uwe Machon、Christian Büchold、Martin Stempka、Tanja Schirmeister、Christoph Gelhaus、Matthias Leippe、Jiri Gut、Philip J. Rosenthal、Caroline Kisker、Matthias Leyh、Carsten Schmuck

  DOI：10.1021/jm900629w

  日期：2009.9.24

  A new class of cysteine protease inhibitors based oil fumaric acid derived oligopeptides was successfully identified from a high-throughput screening of a solid-phase bound combinatorial library. As target enzymes falcipain and rhodesain were used, which play important roles in the life cycles of the parasites which cause malaria (Plasmodium falciparum) and African sleeping sickness (Trypanosoma brucei rhodesiense). The best inhibitors with unusual amino acid sequences not reported before for this type of enzyme were also fully analyzed in detail in solution. K-i values in the lower micromolar and even nanomolar region were found. Some inhibitors are even active against plasmodia and show good selectivity relative to other enzymes. Also the mechanism of action was studied and could be shown to be irreversible inhibition.
• SUGISAVA, XIROSI;MATSUDA, TITIXITO;TAKATANI, SEFU
  作者：SUGISAVA, XIROSI、MATSUDA, TITIXITO、TAKATANI, SEFU

  DOI：——

  日期：——
• KAJO, SUMINORI;OKASI, SIDZUO;YABUUTI, TAKAXIRO
  作者：KAJO, SUMINORI、OKASI, SIDZUO、YABUUTI, TAKAXIRO

  DOI：——

  日期：——