2-(2-methoxy-2-oxoacetamido)acetic acid | 141635-09-8

• 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: 2-(2-methoxy-2-oxoacetamido)acetic acid
• 英文别名: N-Carboxymethyl-oxalamic acid methyl ester；2-[(2-methoxy-2-oxoacetyl)amino]acetic acid
• CAS: 141635-09-8
• 化学式: C₅H₇NO₅
• 分子量: 161.114
• InChiKey: SDXQWITYGOFRJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-methoxy-2-oxoacetamido)acetic acid 在 吡啶 、 甲醇 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 methyl 5-{N-[2-(1-methyl-1H-indol-3-yl)ethyl]pent-4-enamido}oxazole-2-carboxylate
  参考文献：
  名称：

  Intramolecular Diels−Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles

  摘要：

  Full details of a systematic exploration of the intramolecular [4+2]/[3+2] cycloaddition cascade of 1,3,4-oxadiazoles are disclosed in which the scope and utility of the reaction are defined.

  DOI：

  10.1021/ja0612549
• 作为产物：
  描述：

  methyl {[2-(tert-butoxy)-2-oxoethyl]carbamoyl}formate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以100%的产率得到2-(2-methoxy-2-oxoacetamido)acetic acid
  参考文献：
  名称：

  的C铁介导的裂解？水中三羰基化合物中的C键

  摘要：

  一种三邻位三羰基化合物经历C： Ç裂解通过三价铁离子（参见方案）介导的。观察到的茚三酮和脱氢抗坏血酸的裂解与氨基酸检测和维生素C的代谢有关。

  DOI：

  10.1002/anie.200806296

文献信息

• SELECTIVE HDAC1,2 INHIBITORS
  申请人：Regenacy Pharmaceuticals, LLC

  公开号：US20180141923A1

  公开（公告）日：2018-05-24

  Provided herein are compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat diseases or disorders associated with HDAC1 and/or HDAC2 activity.

  本文提供了化合物、含有这些化合物的药物组合物，以及使用这些化合物治疗与HDAC1和/或HDAC2活性相关的疾病或障碍的方法。
• [EN] AMINO HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS AMINO HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：NODTHERA LTD

  公开号：WO2020157069A1

  公开（公告）日：2020-08-06

  The present disclosure relates to compounds of Formula (I): and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory, and autoimmune diseases and cancers.

  本公开涉及式（I）的化合物以及其药用盐、药物组合物、使用方法和制备方法。本文披露的化合物可用于通过抑制炎症小体来抑制IL-1家族细胞因子的成熟，并可用于治疗涉及炎症小体活性的疾病，如炎症性、自身免疫性和自身免疫性疾病以及癌症。
• Novel inhibitors of prolyl 4-hydroxylase. 3. Inhibition by the substrate analog N-oxaloglycine and its derivatives
  作者：C. Jane Cunliffe、Trevor J. Franklin、Neil J. Hales、George B. Hill

  DOI：10.1021/jm00092a016

  日期：1992.7

  N-Oxaloglycine (3) is an alpha-ketoglutarate (1) analogue that is a competitive inhibitor of prolyl 4-hydroxylase (EC 1.14.11.2). A study of the structure-activity relationships of some other oxalo derivatives shows that substitution on the glycine moiety modulates activity stereoselectively and that if the omega-carboxylate is homologated or replaced by either acylsulfonamides or anilide, then activity is sharply reduced. This sensitivity to these changes is contrasted with the relative insensitivity of another putative alpha-ketoglutarate analogue, pyridine-2,5-dicarboxylic acid (2), and the implication is discussed that compounds of both series are unlikely to bind to prolyl hydroxylase in the same way even though both inhibit the enzyme competitively.
• Identification and Optimization of RNA-Splicing Modulators as Huntingtin Protein-Lowering Agents for the Treatment of Huntington’s Disease
  作者：Longbin Liu、Karine Malagu、Alan F. Haughan、Vinod Khetarpal、Andrew J. Stott、William Esmieu、Huw D. Vater、Stephen J. Webster、Amanda J. Van de Poël、Cole Clissold、Brett Cosgrove、Benjamin Sutton、Jonathan A. Spencer、Perla Breccia、Emanuela Gancia、Silvia Bonomo、Tammy Ladduwahetty、Ovadia Lazari、Hiral Patel、Helen C. Atton、Steve Clifton、Daniel M. Mota、Dario Magnani、Amy O’Neill、Marta Stebbeds、Natsuko Macabuag、Daniel Todd、Maria E. Herva、Philip Mitchell、Mijke Visser、Sara Compte Sancerni、Laure Grand Moursel、Marta da Silva、Eva Kritikou、Taneli T. Heikkinen、Tamuna Bolkvadze、Valentina Fodale、Debora Spadafora、Manuel Daldin、Alberto Bresciani、John E. Mangette、Elizabeth M. Doherty、Matthew R. Lee、Todd Herbst、Edith Monteagudo、Douglas Macdonald、Nikolay V. Plotnikov、Mark Chambers、George McAllister、Ignacio Muňoz-Sanjuan、Celia Dominguez

  DOI：10.1021/acs.jmedchem.3c01173

  日期：2023.9.28
• Intramolecular Diels−Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles
  作者：Gregory I. Elliott、James R. Fuchs、Brian S. J. Blagg、Hayato Ishikawa、Houchao Tao、Z.-Q. Yuan、Dale L. Boger

  DOI：10.1021/ja0612549

  日期：2006.8.1

  Full details of a systematic exploration of the intramolecular [4+2]/[3+2] cycloaddition cascade of 1,3,4-oxadiazoles are disclosed in which the scope and utility of the reaction are defined.