(异丁基氨基)(氧代)乙酸 | 75235-38-0

• 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
• 中文名称: (异丁基氨基)(氧代)乙酸
• 英文名称: N-isobutyloxamate
• 英文别名: Oxalsaeure-mono-isobutylamid；N-Isobutyl-oxamidsaeure；N-isobutyloxamic acid；isobutyl-oxalamic acid；Isobutyl-oxalamidsaeure；(Isobutylamino)(oxo)acetic acid；2-(2-methylpropylamino)-2-oxoacetic acid
• CAS: 75235-38-0
• 化学式: C₆H₁₁NO₃
• mdl: MFCD01418401
• 分子量: 145.158
• InChiKey: KTICXCJIBMTSRP-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924199090
• 储存条件：
  室温下密封保存，并保持干燥。

反应信息

• 作为反应物：
  描述：

  (异丁基氨基)(氧代)乙酸 在 copper diacetate 、 silver nitrate ammonium peroxydisulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 3.0h， 以79%的产率得到异氰酸异丁酯
  参考文献：
  名称：

  Reactivity of Carbamoyl Radicals. A New, General, Convenient Free-Radical Synthesis of Isocyanates from Monoamides of Oxalic Acid

  摘要：

  A new, general, simple synthesis of isocyanates was developed by oxidation of monoamides of oxalic acid with peroxydisulfate catalyzed by Ag and Cu salts. The reaction was carried out in a two-phase system (water and an organic solvent), and it is suitable also for practical applications, due to the simple experimental conditions and the inexpensive as well as nontoxic reagents. The first example of homolytic intramolecular aromatic carbamoylation is also reported.

  DOI：

  10.1021/jo00122a020
• 作为产物：
  描述：

  Methyl 2-(2-methylpropylamino)-2-oxoacetate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 (异丁基氨基)(氧代)乙酸
  参考文献：
  名称：

  Reactivity of Carbamoyl Radicals. A New, General, Convenient Free-Radical Synthesis of Isocyanates from Monoamides of Oxalic Acid

  摘要：

  A new, general, simple synthesis of isocyanates was developed by oxidation of monoamides of oxalic acid with peroxydisulfate catalyzed by Ag and Cu salts. The reaction was carried out in a two-phase system (water and an organic solvent), and it is suitable also for practical applications, due to the simple experimental conditions and the inexpensive as well as nontoxic reagents. The first example of homolytic intramolecular aromatic carbamoylation is also reported.

  DOI：

  10.1021/jo00122a020

文献信息

• [EN] COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF<br/>[FR] COMPOSÉS INHIBITEURS DE CYCLOPHILINES ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2017173049A1

  公开（公告）日：2017-10-05

  The present invention relates to compounds, and pharmaceutically acceptable compositions thereof, useful as inhibitors of cyclophilins, and for the treatment of cyclophilin-related disorders.

  本发明涉及化合物及其药学上可接受的组合物，用作环肽酶抑制剂，并用于治疗与环肽酶相关的疾病。
• ASSAYS, METHODS AND MEANS
  申请人：ISIS INNOVATION LIMITED

  公开号：US20150353646A1

  公开（公告）日：2015-12-10

  A novel class of hydroxylases is described having the amino acid sequence of SEQ ID NO: 2, 4, 6 and 8, and variants and fragments thereof having HIF hydroxylation activity. The polypeptides of the invention have in particular prolyl hydroxylase activity. An assay method monitors the interaction of the HIF hydroxylase with a substrate. Modulators of HIF hydroxylase are provided for use in the treatment of a condition associated with increased or decreased HIF levels or activity or for the treatment of a condition where it is desirable to modulate HIF levels or activity.

  描述了一类新型的羟化酶，具有序列编号为2、4、6和8的氨基酸序列，以及具有HIF羟化活性的变体和片段。该发明的多肽具有特别的脯氨酸羟化酶活性。一种测定方法监测HIF羟化酶与底物的相互作用。提供了HIF羟化酶的调节剂，用于治疗与HIF水平或活性增加或减少有关的疾病，或用于治疗需要调节HIF水平或活性的疾病。
• Assays, Methods and Means
  申请人：Isis Innovation Limited

  公开号：US20140294842A1

  公开（公告）日：2014-10-02

  A novel class of hydroxylases is described having the amino acid sequence of SEQ ID No. 2, 4, 6 and 8, and variants and fragments thereof having HIF hydroxylation activity. The polypeptides of the invention have in particular prolyl hydroxylase activity. An assay method monitors the interaction of the HIF hydroxylase with a substrate. Modulators of HIF hydroxylase are provided for use in the treatment of a condition associated with increased or decreased HIF levels or activity or for the treatment of a condition where it is desirable to modulate HIF levels or activity.

  本文介绍了一类新型羟化酶，其氨基酸序列为SEQ ID No. 2、4、6和8及其变异体和片段，具有HIF羟化活性。本发明的多肽特别具有脯氨酸羟化酶活性。一种检测方法监测HIF羟化酶与底物的相互作用。提供用于治疗与HIF水平或活性增加或减少有关的疾病或治疗需要调节HIF水平或活性的疾病的HIF羟化酶调节剂。
• New oxamic acid compounds and pharmaceutical composition for use in improvement of damaged cerebral functions of brain
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0350260A2

  公开（公告）日：1990-01-10

  New N,N-di-alkyl- or alkenyl-substituted derivatives of oxamic acid of which the two alkyl or alkenyl groups are different from each other are now produced and found to exhibit the cerebral protective effect against cerebral anoxia in brain of a mammalian animal, including human, and to be useful as an agent for improving or ameliorating the damaged or disturbed functions of the brain. Some known N,N-di-alkyl-substituted derivatives of oxamic acid of which the two alkyl groups are identical to each other are now also found to have similar, cerebral protective effect against cerebral anoxia and to be useful as an agent for improving the damaged functions of the brain.

  现在生产出了新的草氨酸 N,N-二烷基或烯基取代衍生物，其中的两个烷基或烯基彼此不同，并发现这些衍生物对哺乳动物（包括人类）的脑缺氧具有脑保护作用，可用作改善或改进受损或紊乱的脑功能的药物。一些已知的草氨酸 N,N-二烷基取代衍生物（其中两个烷基彼此相同）现在也被发现具有类似的抗脑缺氧的脑保护作用，并可用作改善受损脑功能的药物。
• Analogues of the Herbicide, <i>N</i>-Hydroxy-<i>N</i>-isopropyloxamate, Inhibit <i>Mycobacterium tuberculosis</i> Ketol-Acid Reductoisomerase and Their Prodrugs Are Promising Anti-TB Drug Leads
  作者：Ajit Kandale、Khushboo Patel、Waleed M. Hussein、Shun Jie Wun、Shan Zheng、Lendl Tan、Nicholas P. West、Gerhard Schenk、Luke W. Guddat、Ross P. McGeary

  DOI：10.1021/acs.jmedchem.0c01919

  日期：2021.2.11