ethyl 2-(2,2,2-trifluroethylamino)acetate | 1021002-60-7

• 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: ethyl 2-(2,2,2-trifluroethylamino)acetate
• 英文别名: Ethyl 2-[(2,2,2-trifluoroethyl)amino]acetate；ethyl 2-(2,2,2-trifluoroethylamino)acetate
• CAS: 1021002-60-7
• 化学式: C₆H₁₀F₃NO₂
• mdl: MFCD11154791
• 分子量: 185.146
• InChiKey: WXUUYAIOCOITMT-UHFFFAOYSA-N

物化性质

• 沸点：
  146.7±40.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2,2-三氟乙基胺 、 溴乙酸乙酯 在 N,N-二异丙基乙胺 、 potassium iodide 作用下， 反应 5.5h， 以2.6 g的产率得到ethyl 2-(2,2,2-trifluroethylamino)acetate
  参考文献：
  名称：

  [EN] CARBOXYLIC ACID COMPOUNDS
  [FR] COMPOSÉS D'ACIDE CARBOXYLIQUE

  摘要：

  本公开涉及至少选择自化合物的实体，其化学式为(I)和其药用盐：（I）其中变量组X，R1，R2，R3，m，n和p如本文所定义。本公开还涉及至少一种这样的实体的制备方法，以及在其制备中有用的中间体，含有至少一种这样的实体的药物组合物，至少一种这样的实体在药物制备中的使用，以及至少一种这样的实体在治疗过敏性疾病、自身免疫疾病、病毒性疾病和癌症等疾病中的使用。

  公开号：

  WO2013172479A1

文献信息

• RILUZOLE PRODRUGS AND THEIR USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20180036290A1

  公开（公告）日：2018-02-08

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的制药组合物包括替代利鲁唑前药，通过释放利鲁唑治疗包括黑色素瘤、乳腺癌、脑癌和前列腺癌等癌症。利鲁唑的前药具有增强的肝代谢稳定性，并通过口服途径输送到全身循环中，然后通过酶促或一般的生物物理释放过程在血浆中裂解释放利鲁唑。
• Carboxylic acid compounds
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US09376398B2

  公开（公告）日：2016-06-28

  The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: (I) wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

  本公开涉及至少选择自公式（I）化合物和其药学上可接受的盐的实体：（I）其中变量基团X，R1，R2，R3 m，n和p如此处所定义。本公开还涉及至少一种这样的实体的制备方法，以及在制备中有用的中间体，包含至少一种这样的实体的制药组合物，使用至少一种这样的实体制备药物，以及使用至少一种这样的实体治疗过敏性疾病，自身免疫性疾病，病毒性疾病和癌症等疾病的方法。
• CARBOXYLIC ACID COMPOUNDS
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20150099770A1

  公开（公告）日：2015-04-09

  The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: (I) wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

  本公开涉及至少从式（I）的化合物和其药学上可接受的盐中选择的至少一个实体： （I）其中变量基团X、R1、R2、R3、m、n和p的定义如本文所述。本公开还涉及至少一种这样的实体的制备方法，以及在其制备中有用的中间体，含有至少一种这样的实体的制药组合物，使用至少一种这样的实体制备药物，以及使用至少一种这样的实体治疗过敏症、自身免疫疾病、病毒性疾病和癌症等疾病的用途。
• PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：EP4011870A1

  公开（公告）日：2022-06-15

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的药物组合物包括取代的利鲁唑原药，可通过释放利鲁唑治疗癌症，包括黑色素瘤、乳腺癌、脑癌和前列腺癌。利鲁唑原药对肝脏代谢的稳定性增强，通过口服进入全身循环，然后通过酶或一般生物物理释放过程裂解，在血浆中释放利鲁唑。
• Prodrugs of riluzole and their method of use
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US10639298B2

  公开（公告）日：2020-05-05

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的药物组合物包括取代的利鲁唑原药，可通过释放利鲁唑治疗癌症，包括黑色素瘤、乳腺癌、脑癌和前列腺癌。利鲁唑原药对肝脏代谢的稳定性增强，通过口服进入全身循环，然后通过酶或一般生物物理释放过程裂解，在血浆中释放利鲁唑。