acetylaminocholine | 26157-58-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: acetylaminocholine
• 英文别名: 2-Acetaminoaethyltrimethylammonium；2-Acetamidoethyltrimethylammonium；2-Acetamino-ethyltrimethylammonium；Ethanaminium, 2-(acetylamino)-N,N,N-trimethyl-；2-acetamidoethyl(trimethyl)azanium
• CAS: 26157-58-4
• 化学式: C₇H₁₇N₂O
• 分子量: 145.225
• InChiKey: BYIYZRMQERRUBC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶二硫醚 、 2-氨基乙基-三甲基铵 、 乙酰辅酶A 在 N-terminally His₁₀-tagged human choline acetyltransferase C₅₅₁A mutant 作用下， 生成 吡啶-4(1H)-硫酮 、 acetylaminocholine
  参考文献：
  名称：

  Redesign of Cosubstrate Specificity and Identification of Important Residues for Substrate Binding to hChAT

  摘要：

  In eukaryotes, choline acetyltransferase (ChAT) catalyzes the reversible formation of the neurotransmitter acetylcholine from choline and acetyl-CoA. ChAT belongs to a family of CoA-dependent enzymes that also includes the carnitine acyltransferases CrAT, CrOT, and CPTs. In contrast to CrOT and CPTs that are very active toward medium-and long-chain acyl-CoAs, respectively, CrAT and ChAT display activity toward only short-chain acyl-CoAs. We recently demonstrated the substrate and cosubstrate promiscuity of the wild-type human ChAT (hChAT). To extend the flexibility of this enzyme, we have generated a series of single, double, and triple hChAT mutants. Here we report the conversion of hChAT into choline octanoyltransferase (ChOT) and choline palmitoyltransferase (ChPT). The E337 and C550 residues (numbering from hChAT) were previously shown to dictate the acyl-CoA cosubstrate specificity in the carnitine series. Here we identify and demonstrate the importance of C551, in addition to E337 and C550, in contributing to the acyl-CoA specificity of hChAT. We also show that either C550 or C551 needs to be present for the transfer of medium-and long-chain acyl-CoAs by hChAT. By exploring the potential expansion of the tunnel on the substrate side, we demonstrate that residues M84, Y436, and Y552 play a critical role in binding and holding the choline substrate in the ChAT active site.

  DOI：

  10.1021/bi1007996

文献信息

• [EN] HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES, MÉDICAMENTS CONTENANT LESDITS COMPOSÉS, LEUR UTILISATION ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013064450A1

  公开（公告）日：2013-05-10

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式(I)的化合物，其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道的抑制作用，以及其用于治疗疾病，特别是肺部和呼吸道疾病的用途。
• HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：HECKEL Armin

  公开号：US20130109697A1

  公开（公告）日：2013-05-02

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, and the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式（I）的化合物及其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道具有抑制作用，并且用于治疗疾病，特别是肺部和呼吸道疾病。
• Cationic bacteriochlorophyll derivatives and uses thereof
  申请人：YEDA RESEARCH AND DEVELOPMENT CO., LTD.

  公开号：EP2322173A1

  公开（公告）日：2011-05-18

  The invention provides cationic tetracyclic and pentacyclic bacteriochlorophyll derivatives (Bchls) containing at least one positively charged group and/or at least one basic group that is converted to a positively charged group under physiological conditions, preferably Bchls having an onium group derived from a N-containing aliphatic or heterocyclic radical such as ammonium, guanidinium, imidazolium, pyridinium, and the like or a phosphonium, arsonium, oxonium, sulfonium, selenonium, telluronium, stibonium, or bismuthonium group, or a basic group that is converted to such onium groups under physiological conditions, said groups being bound to one or more of the positions 173, 133 and 32 of the Bchl molecule by ester or amide bond. The Bchls are useful for photodynamic therapy and diagnosis.

  本发明提供阳离子四环和五环细菌叶绿素衍生物（Bchls），含有至少一个带正电荷的基团和/或至少一个在生理条件下转化为带正电荷基团的碱性基团、胍、咪唑鎓、吡啶鎓等，或磷、砷、氧鎓、锍、硒、碲、锑或铋基团，或在生理条件下转化为此类鎓基团的碱性基团，所述基团通过酯键或酰胺键与 Bchl 分子的一个或多个位置 173、133 和 32 结合。Bchls 可用于光动力疗法和诊断。
• Substituted Tetracycline Compounds
  申请人：Berniac Joel

  公开号：US20100022483A1

  公开（公告）日：2010-01-28

  The present invention pertains, at least in part, to methods of treating a microorganism-associated infection in a subject comprising administering to said subject an effective amount of a tetracycline compound.
• US8759349B2
  申请人：——

  公开号：US8759349B2

  公开（公告）日：2014-06-24