N-(2-氧乙基)-2-苯基乙酰胺 | 5663-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-氧乙基)-2-苯基乙酰胺
• 英文名称: benzylpenilloaldehyde
• 英文别名: N‐(2‐oxoethyl)‐2‐phenylacetamide；N-(2-oxoethyl)-2-phenylacetamide
• CAS: 5663-61-6
• 化学式: C₁₀H₁₁NO₂
• mdl: MFCD11610748
• 分子量: 177.203
• InChiKey: ZBDOVHVJWVWSPQ-UHFFFAOYSA-N

物化性质

• 熔点：
  94-97 °C (decomp)
• 沸点：
  386.3±35.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(2-氧乙基)-2-苯基乙酰胺 在 水 、 戴斯-马丁氧化剂 、 三乙胺 、 叔丁醇 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and evaluation of α-ketoheterocycles as class C β-lactamase inhibitors

  摘要：

  A series of specific alpha -ketoheterocycles (benzoxazole, thiazole, imidazole, tetrazole, and thiazole-4-carboxylate) has been synthesized in order to assess their potential as beta -lactamase inhibitors. The syntheses were achieved either by construction of the heterocycle (benzoxazole) from an appropriate alpha -hydroxyimidate, followed by oxidation of the alcohol, or by direct reaction of methyl phenaceturate with a lithiated heterocycle. The properties of these compounds in aqueous solution are described and their inhibitory activity against beta -lactamases assessed. They did inhibit the class C beta -lactamase of Enterobacter cloacae P99 but not the TEM beta -lactamase. The most effective inhibitor of the former enzyme (K-i = 0.11 mM) was 5-(phenylacetylglycyl) tetrazole, probably because it is an anion at neutral pH, Interpretation of the results was aided by computational models of the tetrahedral adducts. Most of the compounds also inhibited a-chymotrypsin but not porcine pancreatic elastase. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00107-9
• 作为产物：
  描述：

  N-(2,2-diethoxyethyl)-2-phenylacetamide 在 盐酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 28.0h， 生成 N-(2-氧乙基)-2-苯基乙酰胺
  参考文献：
  名称：

  Design, synthesis, and evaluation of α-ketoheterocycles as class C β-lactamase inhibitors

  摘要：

  A series of specific alpha -ketoheterocycles (benzoxazole, thiazole, imidazole, tetrazole, and thiazole-4-carboxylate) has been synthesized in order to assess their potential as beta -lactamase inhibitors. The syntheses were achieved either by construction of the heterocycle (benzoxazole) from an appropriate alpha -hydroxyimidate, followed by oxidation of the alcohol, or by direct reaction of methyl phenaceturate with a lithiated heterocycle. The properties of these compounds in aqueous solution are described and their inhibitory activity against beta -lactamases assessed. They did inhibit the class C beta -lactamase of Enterobacter cloacae P99 but not the TEM beta -lactamase. The most effective inhibitor of the former enzyme (K-i = 0.11 mM) was 5-(phenylacetylglycyl) tetrazole, probably because it is an anion at neutral pH, Interpretation of the results was aided by computational models of the tetrahedral adducts. Most of the compounds also inhibited a-chymotrypsin but not porcine pancreatic elastase. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00107-9

文献信息

• Synthesis of γ-Hydroxy-α-amino Acid Derivatives by Enzymatic Tandem Aldol Addition–Transamination Reactions
  作者：Carlos J. Moreno、Karel Hernández、Simon J. Charnok、Samantha Gittings、Michael Bolte、Jesús Joglar、Jordi Bujons、Teodor Parella、Pere Clapés

  DOI：10.1021/acscatal.1c00210

  日期：2021.4.16

  benzaldehyde lyase from Pseudomonas fluorescens Biovar I (BAL) to transform the benzaldehyde formed into benzoin, minimizing equilibrium limitations, and (iii) l-Glu as an amine donor with a double cascade comprising branched-chain α-amino acid aminotransferase (BCAT) and aspartate amino transferase (AspAT), both from E. coli, using l-Asp as a substrate to regenerate l-Glu. The γ-hydroxy-α-amino acids thus

  报道了通过串联羟醛加成-转氨基一锅两步反应生成 γ-羟基-α-氨基酸的三种酶促途径。该方法设有对映选择性醛醇加成丙酮酸向由催化的各种非芳香醛反式- ö从-hydroxybenzylidene丙酮酸水合酶-醛缩酶（HBPA）恶臭假单胞菌。这提供了手性 4-羟基-2-氧代酸，随后使用S-选择性转氨酶对映选择性胺化。研究了涉及不同胺供体和转氨酶的三种转氨过程：（i）l- Ala 作为具有丙酮酸循环的胺供体，（ii）使用来自荧光假单胞菌的苯甲醛裂解酶的苄胺供体Biovar I (BAL) 将形成的苯甲醛转化为安息香，最大限度地减少平衡限制，以及 (iii) l -Glu 作为胺供体，具有包含支链 α-氨基酸氨基转移酶 (BCAT) 和天冬氨酸氨基转移酶 (AspAT) 的双级联反应)，均来自大肠杆菌，使用l -Asp 作为底物再生l -Glu。由此获得的γ-羟基-α-氨基酸被转化为手性α-氨基-γ
• 60Co-Irradiation as an Alternate Method for Sterilization of Penicillin G, Neomycin, Novobiocin, and Dihydrostreptomycin
  作者：Kiyoshi Tsuji、Paul D. Rahn、Kathy A. Steindler

  DOI：10.1002/jps.2600720106

  日期：1983.1

  To determine the radiolytic degradation scheme and the stability of the antibiotics following irradiation, high-performance liquid chromatographic (HPLC) methods were developed. The resulting rates of degradation for the antibiotics were 0.6, 1.2, 2.3, and 0.95%/Mrad for penicillin G, neomycin, novobiocin, and dihydrostreptomycin, respectively. Furthermore, radiolytic degradation pathways for the antibiotics

  评估了使用60Co辐照对抗生素进行灭菌的效果。抗生素粉末仅偶尔被微生物污染。对于曲霉菌属（UC 7297、7298），烟曲霉（UC 7299），杜鹃花属（UC 7300），产品和环境分离物的D值分别为0.028、0.027、0.015、0.046、0.15、0.018和0.19 Mrads。 ，草酸青霉（UC 7269），麦芽假单胞菌（UC 6855）和生物学指示微生物，短小芽孢杆菌孢子（ATCC 27142）。因此，1.14 Mrads的辐照剂量足以实现对短双歧杆菌芽孢的六对数循环破坏。根据生物负荷数据，计算得出最小辐照剂量为1.05 Mrads，足以获得对最耐辐射的分离物Pen进行灭菌的10（-6）概率。草酸 为了确定辐射降解方案和辐射后抗生素的稳定性，开发了高效液相色谱（HPLC）方法。青霉素G，新霉素，新霉素和二氢链霉素的抗生素降解率分别为0.6、1.2、2.3和0.95％/ Mr
• BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN
  申请人：Evans David Michael

  公开号：US20140213611A1

  公开（公告）日：2014-07-31

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R 1 to R 9 are as defined herein.

  本发明提供公式（I）的化合物：包括这些化合物的组合物；在治疗中使用这些化合物（例如，在涉及血浆激肽酶活性的疾病或病症的治疗或预防中）；以及使用这些化合物治疗患者的方法；其中R1至R9如本文所定义。
• Methods of use for cyclopamine analogs
  申请人：Infinity Discovery, Inc.

  公开号：EP2368551A2

  公开（公告）日：2011-09-28

  The invention provides methods for treating various conditions using derivatives of cyclopamine having the following formula:

  本发明提供了使用具有下式的环丙胺衍生物治疗各种疾病的方法：
• Cyclopamine analogs
  申请人：Infinity Discovery, Inc.

  公开号：EP2443926A2

  公开（公告）日：2012-04-25

  The invention provides novel derivatives of cyclopamine having the following formula: wherein the nature of the moieties R1, R2, R3, R4, R7, R7', R8 and R9 is defined in appended claim 1.

  本发明提供了具有下式的环丙胺新型衍生物： 其中分子 R1、R2、R3、R4、R7、R7'、R8 和 R9 的性质在所附权利要求 1 中定义。