4-[(2-carboethoxyethyl)amino]-4-oxo-butanoic acid | 78238-72-9

• 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: 4-[(2-carboethoxyethyl)amino]-4-oxo-butanoic acid
• 英文别名: 3-[(2-Carboxyethyl)carbamoyl]propanoic acid；4-(2-carboxyethylamino)-4-oxobutanoic acid
• CAS: 78238-72-9
• 化学式: C₇H₁₁NO₅
• mdl: MFCD00481984
• 分子量: 189.168
• InChiKey: NFQWOKKYYQQDCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  552.4±35.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7α,11β-dimethyl-17β-hydroxyestr-4-en-3-one 、 4-[(2-carboethoxyethyl)amino]-4-oxo-butanoic acid 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以0.72 g的产率得到
  参考文献：
  名称：

  [EN] MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME
  [FR] MODES DE RÉALISATION DE COMPOSÉS MONOMÈRES ET OLIGOMÈRES EN TANT QUE CONTRACEPTIFS ET THÉRAPIES ET PROCÉDÉS DE FABRICATION ET D'UTILISATION ASSOCIÉS

  摘要：

  公开号：

  WO2021252761A3
• 作为产物：
  描述：

  在 盐酸 、 native pea aldehyde dehydrogenase 、 还原型辅酶Ⅰ 作用下， 以 aq. buffer 为溶剂， 反应 0.3h， 生成 4-[(2-carboethoxyethyl)amino]-4-oxo-butanoic acid
  参考文献：
  名称：

  10.1007/s00726-024-03415-4

  摘要：

  AbstractAldehyde dehydrogenases (ALDHs) represent a superfamily of enzymes, which oxidize aldehydes to the corresponding acids. Certain families, namely ALDH9 and ALDH10, are best active with ω-aminoaldehydes arising from the metabolism of polyamines such as 3-aminopropionaldehyde and 4-aminobutyraldehyde. Plant ALDH10s show broad specificity and accept many different aldehydes (aliphatic, aromatic and heterocyclic) as substrates. This work involved the above-mentioned aminoaldehydes acylated with dicarboxylic acids, phenylalanine, and tyrosine. The resulting products were then examined with native ALDH10 from pea and recombinant ALDH7s from pea and maize. This investigation aimed to find a common efficient substrate for the two plant ALDH families. One of the best natural substrates of ALDH7s is aminoadipic semialdehyde carrying a carboxylic group opposite the aldehyde group. The substrate properties of the new compounds were demonstrated by mass spectrometry of the reaction mixtures, spectrophotometric assays and molecular docking. The N-carboxyacyl derivatives were good substrates of pea ALDH10 but were only weakly oxidized by the two plant ALDH7s. The N-phenylalanyl and N-tyrosyl derivatives of 3-aminopropionaldehyde were good substrates of pea and maize ALDH7. Particularly the former compound was converted very efficiently (based on the kcat/Km ratio), but it was only weakly oxidized by pea ALDH10. Although no compound exhibited the same level of substrate properties for both ALDH families, we show that these enzymes may possess more common substrates than expected.

  DOI：

  10.1007/s00726-024-03415-4

文献信息

• Substituted Aminopropionic Derivatives as Neprilysin inhibitors
  申请人：Coppola Gary Mark

  公开号：US20100305131A1

  公开（公告）日：2010-12-02

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 5 , B 1 , X and n are defined herein. The invention also relates a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、R5、B1、X和n在此定义。本发明还涉及制造该化合物的方法及其治疗用途。本发明进一步提供了一种药理活性剂的组合和制药组合物。
• Flemming, Christian; Gabert, Anton; Wand, Helmut, Collection of Czechoslovak Chemical Communications, 1983, vol. 48, # 1, p. 184 - 191
  作者：Flemming, Christian、Gabert, Anton、Wand, Helmut、Zemek, Jiri

  DOI：——

  日期：——
• [EN] METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY<br/>[FR] PROCÉDÉ DE TRAITEMENT D'UNE NÉPHROPATHIE INDUITE PAR LES PRODUITS DE CONTRASTE
  申请人：NOVARTIS AG

  公开号：WO2012065958A1

  公开（公告）日：2012-05-24

  The present invention provides the use of a neutral endopeptidase inhibitor, in the manufacture of a medicament for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The invention also relates to the use of a compound of Formula (I) wherein R1, R2, R3, R5, X, A3, B1, s and n are defined herein, for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The present invention further provides a combination of pharmacologically active agents for use in the treatment, amelioration and/or prevention of contrast-induced nephropathy.
• [EN] MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME<br/>[FR] MODES DE RÉALISATION DE COMPOSÉS MONOMÈRES ET OLIGOMÈRES EN TANT QUE CONTRACEPTIFS ET THÉRAPIES ET PROCÉDÉS DE FABRICATION ET D'UTILISATION ASSOCIÉS
  申请人：US HEALTH

  公开号：WO2021252761A3

  公开（公告）日：2022-02-10