[(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate | 201402-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: [(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
• CAS: 201402-96-2
• 化学式: C₂₆H₂₅NO₉S₂
• 分子量: 559.618
• InChiKey: YGMQPTHDFLTMDH-BJKOFHAPSA-N

物化性质

• 沸点：
  767.9±60.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  161
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate 在 potassium carbonate 、 potassium hydrogencarbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 生成 (3S,4aS,8aS)-2-[(2R,3R)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-hydroxy-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
  参考文献：
  名称：

  A synthesis of the HIV-protease inhibitor nelfinavir from d-tartaric acid

  摘要：

  This letter describes a new synthesis of the HIV-protease inhibitor nelfinavir. The synthesis features a selective opening of a D-tartaric acid-derived cyclic sulfate with nitrogen nucleophiles. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)01338-7
• 作为产物：
  描述：

  [(4R,5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1,3,2-dioxathiolan-4-yl]methyl 4-methylbenzenesulfonate 在 ruthenium trichloride 、 sodium periodate 作用下， 以 水 、 丙酮 、 乙腈 为溶剂， 生成 [(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  [EN] METHODS FOR TREATING SARS-COV-2 INFECTION
  [FR] MÉTHODES DE TRAITEMENT D'UNE INFECTION AU SARS-COV-2

  摘要：

  本文公开了治疗严重急性呼吸综合症冠状病毒2（SARS-CoV-2）感染的方法。该方法包括向患有SARS-CoV-2感染的受试者施用选自抗病毒剂、抗肿瘤剂、抗寄生虫剂、离子通道调节剂、抗生素、草药提取物、苏荷茶、灵芝多糖分离物3（RF3）或其组合的有效剂量，以缓解或改善与SARS-CoV-2感染相关的症状。

  公开号：

  WO2022115654A1

文献信息

• [EN] METHODS FOR TREATING SARS-COV-2 INFECTION<br/>[FR] MÉTHODES DE TRAITEMENT D'UNE INFECTION AU SARS-COV-2
  申请人：ACADEMIA SINICA

  公开号：WO2022115654A1

  公开（公告）日：2022-06-02

  Disclosed herein are methods for the treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) infection. The method includes the step of administering to a subject suffering from a SARS-CoV-2 infection an effective amount of an agent selected from the group consisting of an anti-viral agent, an anti-neoplastic agent, an anti-parasitic agent, an ion channel modulator, an antibiotic, an herbal extract, Soho tea, Reishi polysaccharide fraction 3 (RF3) ofGanodermalucidum, and a combination thereof, so as to alleviate or ameliorate symptoms associated with the SARS-CoV-2 infection.

  本文公开了治疗严重急性呼吸综合症冠状病毒2（SARS-CoV-2）感染的方法。该方法包括向患有SARS-CoV-2感染的受试者施用选自抗病毒剂、抗肿瘤剂、抗寄生虫剂、离子通道调节剂、抗生素、草药提取物、苏荷茶、灵芝多糖分离物3（RF3）或其组合的有效剂量，以缓解或改善与SARS-CoV-2感染相关的症状。
• Optimization of an Electrolyte System for the Simultaneous Separation of Nelfinavir Mesylate and Two Impurities by Micellar Electrokinetic Chromatography
  作者：Carina A. Bastos、Cláudia R. B. Gomes、Marcus V. N. de Souza、Marcone A. L. de Oliveira

  DOI：10.5935/0103-5053.20150049

  日期：——

  A methodology for the simultaneous determination of nelfinavir mesylate and the impurities 3-hydroxy-2-methylbenzoic acid and (2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl) octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-aminium benzoate by micellar electrokinetic chromatography, with an analysis time of 25 min, was proposed. An electrolyte composed of sodium tetraborate buffer (pH 9.24; 25 mmol L-1), sodium dodecyl sulphate (9 mmol L-1) and methanol (10%, v/v) was optimized using a mixed-level factorial design, with direct detection at 200 nm. After evaluating some figures of merit, such as selectivity, linearity, precision, limit of detection, limit of quantification, accuracy and robustness (using Youden's test), the method was successfully applied to the analysis of nelfinavir mesylate and its impurities in a pharmaceutical formulation. The optimized methodology is demonstrated to be useful in the determination of these analytes in a synthesis monitoring process, in raw materials and in pharmaceutical formulations, while offering low solvent consumption, requiring a small sample and using non-specific columns as advantages.
• A synthesis of the HIV-protease inhibitor nelfinavir from d-tartaric acid
  作者：Kim F Albizati、Srinivasan Babu、Angela Birchler、Juliette K Busse、Michelle Fugett、Alan Grubbs、Aubrey Haddach、Miguel Pagan、Barbara Potts、Travis Remarchuk、Dale Rieger、Rick Rodriguez、Jim Shanley、Robert Szendroi、Tony Tibbetts、Kathleen Whitten、Bennett C Borer

  DOI：10.1016/s0040-4039(01)01338-7

  日期：2001.9

  This letter describes a new synthesis of the HIV-protease inhibitor nelfinavir. The synthesis features a selective opening of a D-tartaric acid-derived cyclic sulfate with nitrogen nucleophiles. (C) 2001 Published by Elsevier Science Ltd.