N,N-dimethyl-L-serinamide | 609367-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N-dimethyl-L-serinamide
• 英文别名: (2S)-2-amino-3-hydroxy-N,N-dimethylpropanamide
• CAS: 609367-40-0
• 化学式: C₅H₁₂N₂O₂
• 分子量: 132.162
• InChiKey: PXABCZHNIITWIR-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-L-serinamide 在 palladium on activated charcoal N-羟基-7-氮杂苯并三氮唑 、 氢气 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2-hydroxy-ethyl)-amide
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the P2′ and P3′ side chains

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to both the P2' and P3' side chains. Enzyme inhibition and antibacterial activity data revealed that a variety of substituents are tolerated at the P2' and P3' positions of the inhibitor backbone. The data from this study highlights the potential for modification at the P2' and P3' positions to optimise the physicochemical properties. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00533-x
• 作为产物：
  描述：

  (S)-benzyl [1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate 在 palladium-carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以to give the title compound (1.61 g)的产率得到N,N-dimethyl-L-serinamide
  参考文献：
  名称：

  NITROGEN-CONTAINING HETEROCYCLIC COMPOUND

  摘要：

  本发明提供了一种新型化合物，作为ERR-α调节剂具有卓越的活性，可用作预防或治疗ERR-α相关疾病的药剂。本发明涉及一种由式所表示的化合物，其中每个符号如规范中所定义，或其盐。

  公开号：

  US20130072467A1

文献信息

• Discovery of Novel Thiophene-Based, Thumb Pocket 2 Allosteric Inhibitors of the Hepatitis C NS5B Polymerase with Improved Potency and Physicochemical Profiles
  作者：John J. Court、Carl Poisson、Andrzej Ardzinski、Darius Bilimoria、Laval Chan、Kishan Chandupatla、Nathalie Chauret、Philip N. Collier、Sanjoy Kumar Das、Francois Denis、Warren Dorsch、Ganesh Iyer、David Lauffer、Lucille L’Heureux、Pan Li、Brian S. Luisi、Nagraj Mani、Suganthi Nanthakumar、Olivier Nicolas、B. Govinda Rao、Steven Ronkin、Subajini Selliah、Rebecca S. Shawgo、Qing Tang、Nathan D. Waal、Constantin G. Yannopoulos、Jeremy Green

  DOI：10.1021/acs.jmedchem.6b00541

  日期：2016.7.14

  validated targets for direct-acting antiviral therapies. The NS5B polymerase may be inhibited directly through the action of nucleosides or nucleotide analogues or allosterically at a number of well-defined sites. Herein we describe the further development of a series of thiophene carboxylate allosteric inhibitors of NS5B polymerase that act at the thumb pocket 2 site. Lomibuvir (1) is an allosteric

  丙型肝炎病毒蛋白 NS3/4A 蛋白酶、NS5B 聚合酶和 NS5A 是临床验证的直接作用抗病毒治疗靶点。NS5B 聚合酶可通过核苷或核苷酸类似物的作用直接抑制，或在许多明确定义的位点变构抑制。在这里，我们描述了一系列作用于拇指口袋 2 位点的 NS5B 聚合酶噻吩羧酸变构抑制剂的进一步开发。洛米布韦 ( 1 ) 是一种变构 HCV NS5B 抑制剂，与其他直接作用的抗病毒药物联合使用时表现出优异的抗病毒活性和潜在的临床效用。进一步探索和开发该系列的努力导致了化合物23，一种具有相当效力和改进的物理化学性质的化合物。
• Nitrogen-containing heterocyclic compound
  申请人：Matsumoto Shigemitsu

  公开号：US08772277B2

  公开（公告）日：2014-07-08

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型化合物，具有卓越的ERR-α调节剂活性，并可用作预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由式子所表示的化合物，其中每个符号如规范中所定义，或其盐。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  申请人：MATSUMOTO Shigemitsu

  公开号：US20130072467A1

  公开（公告）日：2013-03-21

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型化合物，作为ERR-α调节剂具有卓越的活性，可用作预防或治疗ERR-α相关疾病的药剂。本发明涉及一种由式所表示的化合物，其中每个符号如规范中所定义，或其盐。
• [EN] TEAD INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE TEAD ET PROCEDES D'UTILISATION
  申请人：[en]SPOROS BIODISCOVERY, INC.

  公开号：WO2023183437A1

  公开（公告）日：2023-09-28

  The present disclosure provides, in part, compounds of formula (I), wherein the variables are as defined herein, pharmaceutical compositions comprising the compounds, and methods of using the compounds to treat physiological disorders, such as proliferative disorders, mediated by TEA domain transcription factors.
• Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the P2′ and P3′ side chains
  作者：Stephen J. Davies、Andrew P. Ayscough、R.Paul Beckett、John M. Clements、Sheila Doel、Lisa M. Pratt、Zoë M. Spavold、S.Wayne Thomas、Mark Whittaker

  DOI：10.1016/s0960-894x(03)00533-x

  日期：2003.8

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to both the P2' and P3' side chains. Enzyme inhibition and antibacterial activity data revealed that a variety of substituents are tolerated at the P2' and P3' positions of the inhibitor backbone. The data from this study highlights the potential for modification at the P2' and P3' positions to optimise the physicochemical properties. (C) 2003 Elsevier Ltd. All rights reserved.