2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]acetic acid

• 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: 2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]acetic acid
• 化学式: C₁₃H₁₅N₃O₄
• 分子量: 277.28
• InChiKey: JLHZGHGQBRTRIC-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  128
• 氢给体数：
  5
• 氢受体数：
  5

文献信息

• [EN] SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF<br/>[FR] SYNTHÈSE DE BENZO[D][1,3]DIOXOLES ET DE CATÉCHOLS DEUTÉRIÉS, AINSI QUE DE LEURS DÉRIVÉS
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2009035652A1

  公开（公告）日：2009-03-19

  The present invention provides a convenient and efficient process for the synthesis of d2-benzo[d][l,3]dioxoles.

  本发明提供了一种便捷高效的合成d2-苯并[d][1,3]二噁烷的方法。
• Method for the separation of acids from chemical reaction mixtures by means of ionic fluids
  申请人：Volland Martin

  公开号：US20050020857A1

  公开（公告）日：2005-01-27

  Process for preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base, wherein the auxiliary base b) and the acid form a salt which is liquid at temperatures at which the desired product is not significantly decomposed during the process of separating off the liquid salt and c) the salt of the auxiliary base forms two immiscible liquid phases with the desired product or the solution of the desired product in a suitable solvent.

  制备氨基二卤代膦、二胺卤代膦、三胺膦、磷酸酯二酰胺、氨基膦、二氨基膦、磷酸酯酰胺卤和氨基膦卤的过程，其中在辅助碱存在下消除酸，辅助碱b）和酸形成一种在所需产品在过程中分离液态盐时不会明显分解的温度下为液态的盐，并且c）辅助碱的盐与所需产品或所需产品在适当溶剂中的溶液形成两个不相溶的液态相。
• NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES
  申请人：Tung Roger

  公开号：US20080033011A1

  公开（公告）日：2008-02-07

  The present invention relates to an isotopologue of paroxetine substituted with deuterium at the methylene carbon of the benzodioxol ring. The isotopologues of this invention selective serotonin reuptake inhibitors (SSRIs) and possess unique biopharmaceutical and metabolic properties compared to paroxetine. They may also be used to accurately determine the concentration of paroxetine in biological fluids and to determine metabolic patterns of paroxetine and its isotopologues. The invention further provides compositions comprising these deuterated isotopologues and methods of treating diseases and conditions that are responsive to increased neuronal serotonin transmission, alone and in combination with additional agents.

  本发明涉及一种取代苯并二氧戊环环上亚甲基碳上的氘代帕罗西汀同位素。本发明的同位素是选择性血清素再摄取抑制剂(SSRIs)，与帕罗西汀相比具有独特的生物制药和代谢特性。它们还可以用于准确测定生物液体中帕罗西汀的浓度以及确定帕罗西汀及其同位素的代谢模式。本发明还提供了包含这些氘代同位素的组合物和治疗对增加神经元血清素传递敏感的疾病和状况的方法，单独或与其他药物联合使用。
• SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC LIQUIDS
  申请人：Volland Martin

  公开号：US20080083606A1

  公开（公告）日：2008-04-10

  Process for preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base, wherein the auxiliary base b) and the acid form a salt which is liquid at temperatures at which the desired product is not significantly decomposed during the process of separating off the liquid salt and c) the salt of the auxiliary base forms two immiscible liquid phases with the desired product or the solution of the desired product in a suitable solvent.

  制备氨基二卤代膦、双氨基卤代膦、三氨基膦、磷酸酯二酰胺、氨基膦、双氨基膦、磷酸酯酰胺卤和氨基膦卤的过程，其中在辅助碱存在下消除酸，该辅助碱b）和酸形成一种盐，在分离液态盐的过程中，所需产物在不显著分解的温度下，该盐是液态的；c）辅助碱的盐与所需产物或所需产物在适当溶剂中的溶液形成两个不相溶的液态相。
• Novel benzo[D][1,3]-dioxol derivatives
  申请人：Tung Roger

  公开号：US20070191432A1

  公开（公告）日：2007-08-16

  The present invention relates to an isotopologue of Compound 1 substituted with deuterium at the methylene carbon of the benzodioxol ring. The isotopologues of this invention selective serotonin reuptake inhibitors (SSRIs) and possess unique biopharmaceutical and metabolic properties compared to Compound 1. They may also be used to accurately determine the concentration of Compound 1 in biological fluids and to determine metabolic patterns of Compound 1 and its isotopologues. The invention further provides compositions comprising these deuterated isotopologues and methods of treating diseases and conditions that are responsive to increased neuronal serotonin transmission, alone and in combination with additional agents.

  本发明涉及一种在苯并二氧杂环环的亚甲基碳上取代氘的化合物1的同位素。本发明的同位素是选择性血清素再摄取抑制剂(SSRI)，与化合物1相比具有独特的生物制药和代谢特性。它们还可以用于准确确定生物液中化合物1的浓度，并确定化合物1及其同位素的代谢模式。本发明还提供了包含这些氘同位素的组合物以及治疗对增加神经元血清素传递敏感的疾病和病症的方法，单独或与其他药物联合使用。