[¹³C₆,¹⁵N]-isoleucine methyl ester | 1323934-36-6

• 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: [¹³C₆,¹⁵N]-isoleucine methyl ester
• 英文别名: [(13)C6,(15)N]-L-isoleucine methyl ester
• CAS: 1323934-36-6
• 化学式: C₇H₁₅NO₂
• 分子量: 152.129
• InChiKey: YXMMTUJDQTVJEN-ZPQHIHHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  10.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [¹³C₆,¹⁵N]-isoleucine methyl ester 、 2,2,6-三甲基-4H-1,3-二英-4-酮 以 甲苯 为溶剂， 反应 0.5h， 以76%的产率得到methyl N-acetoacetyl-[(13)C6,(15)N]-L-isoleucinate
  参考文献：
  名称：

  Development of a Stable Isotope Dilution Assay for Tenuazonic Acid

  摘要：

  A stable isotope dilution assay (SIDA) for the Alternaria mycotoxin tenuazonic acid was developed. Therefore, [C-13(6),N-15]-tenuazonic acid was synthesized from [C-13(6),N-15]-isoleucine by Dieckmann intramolecular cyclization after acetoacetylation with diketene. The synthesized [C-13(6),N-15]-tenuazonic acid was used as the internal standard for determination of tenuazonic acid in tomato products by liquid chromatography tandem mass spectrometry after derivatization with 2,4-dinitrophenylhydrazine. Method validation revealed a limit of detection of 0.1 mu g/kg and a limit of quantitation of 0.3 mu g/kg. Recovery was close to 100% in the range of 3-300 mu g/kg. Determination of tenuazonic acid in two samples of different tomato ketchups (naturally contaminated) was achieved with a coefficient of variation of 2.3% and 4.7%. Different tomato products (n = 16) were analyzed for their content of tenuazonic acid using the developed SIDA. Values were between 15 and 195 mu g/kg (tomato ketchup, n = 9), 363 and 909 mu g/kg (tomato paste, n = 2), and 8 and 247 mu g/kg (pureed tomatoes and comparable products, n = 5).

  DOI：

  10.1021/jf104270e
• 作为产物：
  描述：

  甲醇 、 L-异亮13C6,15N 在 氯化亚砜 作用下， 反应 4.0h， 以64%的产率得到[¹³C₆,¹⁵N]-isoleucine methyl ester
  参考文献：
  名称：

  Development of a Stable Isotope Dilution Assay for Tenuazonic Acid

  摘要：

  A stable isotope dilution assay (SIDA) for the Alternaria mycotoxin tenuazonic acid was developed. Therefore, [C-13(6),N-15]-tenuazonic acid was synthesized from [C-13(6),N-15]-isoleucine by Dieckmann intramolecular cyclization after acetoacetylation with diketene. The synthesized [C-13(6),N-15]-tenuazonic acid was used as the internal standard for determination of tenuazonic acid in tomato products by liquid chromatography tandem mass spectrometry after derivatization with 2,4-dinitrophenylhydrazine. Method validation revealed a limit of detection of 0.1 mu g/kg and a limit of quantitation of 0.3 mu g/kg. Recovery was close to 100% in the range of 3-300 mu g/kg. Determination of tenuazonic acid in two samples of different tomato ketchups (naturally contaminated) was achieved with a coefficient of variation of 2.3% and 4.7%. Different tomato products (n = 16) were analyzed for their content of tenuazonic acid using the developed SIDA. Values were between 15 and 195 mu g/kg (tomato ketchup, n = 9), 363 and 909 mu g/kg (tomato paste, n = 2), and 8 and 247 mu g/kg (pureed tomatoes and comparable products, n = 5).

  DOI：

  10.1021/jf104270e

文献信息

• [EN] METHODS FOR SELECTIVELY MODIFYING AMINO ACIDS AND PRODUCTS MADE THEREBY<br/>[FR] PROCÉDÉS DE MODIFICATION SÉLECTIVE D'ACIDES AMINÉS ET PRODUITS FABRIQUÉS PAR CEUX-CI
  申请人：UNIV CALIFORNIA

  公开号：WO2021007127A1

  公开（公告）日：2021-01-14

  Disclosed herein are methods for the selective substitution of a hydrogen bonded to a carbon atom (e.g., a hydrogen of an aliphatic methylene group) of a compound, which comprise contacting the compound with a substituent in the presence of a BesD halogenase.

  本文披露了一种选择性替代化合物中与碳原子结合的氢（例如，脂肪族亚甲基基团的氢）的方法，包括在BesD卤素酶存在的情况下将化合物与取代基接触。