(S)-ethyl-2-(methylamino)-3-phenylpropanoate | 2812-24-0

• 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
• 英文名称: (S)-ethyl-2-(methylamino)-3-phenylpropanoate
• 英文别名: N-methyl-L-phenylalanine ethyl ester；N-Methyl-L-phenylalanin-aethylester；ethyl (2S)-2-(methylamino)-3-phenylpropanoate
• CAS: 2812-24-0
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: YFCBBIWXYBRHCL-NSHDSACASA-N

物化性质

• 沸点：
  151 °C(Press: 21 Torr)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-ethyl-2-(methylamino)-3-phenylpropanoate 在 氢氧化钾 、 氨 作用下， 以 甲醇 为溶剂， 反应 36.0h， 生成 (3S,11bS) 3,7-Dibenzyl-3,4,7,11b-tetrahydro-4-methyl-2H-1,4-diazepino<6,5-c>chinolin-2,5(1H)-dion
  参考文献：
  名称：

  Bohnert, Sabine; Guendel, Wolf-H., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 9, p. 1167 - 1173

  摘要：

  DOI：

文献信息

• [EN] 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER<br/>[FR] NOUVEAUX COMPOSÉS SULFONIMIDOYLPURINONE SUBSTITUÉS EN POSITION 7 ET DÉRIVÉS POUR LE TRAITEMENT ET LA PROPHYLAXIE DU CANCER DU FOIE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2019166432A1

  公开（公告）日：2019-09-06

  The present invention relates to compounds of formula (I), wherein R1, R2 and R3 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, for (use in) the treatment and/or prophylaxis of liver cancer.

  本发明涉及式(I)的化合物，其中R1、R2和R3如本文所述，并且它们的前药或药学上可接受的盐、对映体或二对映体，用于治疗和/或预防肝癌。
• 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER
  申请人：Hoffmann-La Roche Inc.

  公开号：US20200268762A1

  公开（公告）日：2020-08-27

  The present invention relates to compounds of formula (I), wherein R 1 , R 2 and R 3 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, for (use in) the treatment and/or prophylaxis of liver cancer.

  本发明涉及式(I)的化合物，其中R1、R2和R3如本文所述，并且它们的前药或药学上可接受的盐、对映体或二对映体，用于治疗和/或预防肝癌。
• 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US10233184B2

  公开（公告）日：2019-03-19

  The present invention relates to compounds of formula (I), wherein R1, R2 and R3 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式（I）化合物、 其中 R1、R2 和 R3 如本文所述，及其原药或药学上可接受的盐、对映体或非对映异构体，以及包括这些化合物的组合物和使用这些化合物的方法。
• 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US10752630B2

  公开（公告）日：2020-08-25

  The present invention relates to compounds of formula (I), wherein R1, R2 and R3 are as described herein, and their prodrugs or pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式（I）化合物、 其中 R1、R2 和 R3 如本文所述，及其原药或药学上可接受的盐、对映体或非对映异构体，以及包括这些化合物的组合物和使用这些化合物的方法。
• Urea nucleosides as therapeutic and diagnostic agents
  申请人：GILEAD SCIENCES, INC.

  公开号：US20030069414A1

  公开（公告）日：2003-04-10

  Modified nucleosides and methods of making and using the nucleosides are disclosed. The compounds can be prepared by reacting nucleoside starting materials that contain a suitable leaving group at one or more of the carbon atoms in the purine or pyrimidine ring, with a vinylstannane, carbon monoxide, and a palladium catalyst to provide 1-ene-3-one intermediates. These intermediates are then reacted with suitably functionalized primary or secondary amines via a Michael reaction. When the intermediate is a 5-position modified pyrimidine ring, and the amine contains a second hydrogen, it can do a second Michael reaction with the ene-one or the ene-imine in the pyrimidine ring. Appropriate modification of the amine reactant can yield products with various bioactivities. The nucleosides can be used therapeutically as anti-cancer, anti-bacterial or anti-viral drugs. The nucleosides can also be used for diagnostic applications, for example, by incorporating a radiolabel or fluorescent label into the molecule. The nucleosides can be used to prepare oligonucleotides for use in various applications, either alone or in combination with other modified nucleosides and/or naturally occurring nucleosides.

  本发明公开了修饰核苷以及制造和使用核苷的方法。这些化合物的制备方法是将在嘌呤或嘧啶环的一个或多个碳原子上含有合适离去基团的核苷起始原料与乙烯基锡烷、一氧化碳和钯催化剂反应，生成 1-烯-3-酮中间体。然后，这些中间体通过迈克尔反应与适当官能化的伯胺或仲胺发生反应。当中间体是一个 5 位修饰的嘧啶环，并且胺中含有第二个氢时，它可以与嘧啶环中的烯酮或烯亚胺发生第二次迈克尔反应。对胺反应物进行适当的修饰，可以得到具有各种生物活性的产物。核苷可用作抗癌、抗菌或抗病毒药物。核苷还可用于诊断，例如在分子中加入放射性标记或荧光标记。核苷可用于制备寡核苷酸，单独使用或与其他改性核苷和/或天然核苷结合使用，以用于各种应用。