(S)-1-carboxy-2-(1H-indol-3-yl)ethanaminium nicotinate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-1-carboxy-2-(1H-indol-3-yl)ethanaminium nicotinate
• 英文别名: [(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]azanium;pyridine-3-carboxylate
• 化学式: C₆H₅NO₂*C₁₁H₁₂N₂O₂
• 分子量: 327.34
• InChiKey: NLHDTVLSEUUSGF-FVGYRXGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  129
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  烟酸 、 L-色氨酸 以 aq. phosphate buffer 为溶剂， 生成 (S)-1-carboxy-2-(1H-indol-3-yl)ethanaminium nicotinate
  参考文献：
  名称：

  芳香族氨基酸与杂环配体相互作用的热力学

  摘要：

  芳香族氨基酸之间的相互作用（升-色氨酸，升在水性缓冲溶液（杂环配位体-苯丙氨酸）和（尿嘧啶，烟酸）pH值 由量热法进行了研究和UV-vis光谱7.35）。稳定常数（LG ķ）和1热力学参数：2的复合物形成（Δ Ç ģ，Δ Ç ħ，Δ Ç小号）已经被计算，并在表中。在实验误差的范围内，通过两种方法获得的lg K值彼此一致。结果表明尿嘧啶与l -Phe和l的复合物形成-Trp伴随着负焓和小的正熵变化。烟酸和氨基酸（1- Phe，1- Trp）之间的复合物形成的特征在于焓和熵变的正值。发现尿嘧啶是用于1- Trp和1- Phe的更合适的络合剂，因为氨基酸与其形成更稳定的络合物。

  DOI：

  10.1016/j.molliq.2015.07.024

文献信息

• [EN] SALTS OF NICOTINIC ACID AND NICOTINAMIDE AS ANTI-AGING AGENTS<br/>[FR] SELS D'ACIDE NICOTINIQUE ET DE NICOTINAMIDE EN TANT QU'AGENTS ANTI-ÂGE
  申请人：JUMPSTART FERTILITY PTY LTD

  公开号：WO2020028684A1

  公开（公告）日：2020-02-06

  The present invention relates to amino acid salts of nicotinic acid and nicotinamide and compositions thereof of Formula I, useful in the treatment of disorders and diseases associated with deficiencies in NAD+: (I) wherein J, M1, R1, and k are as described herein.

  本发明涉及烟酸和烟酰胺的氨基酸盐及其组合物，其化学式为I，用于治疗与NAD+缺乏相关的疾病和紊乱：（I）其中J、M1、R1和k如本文所述。
• Pharmaceutical compositions having therapeutical activity based on mercaptoethansulphonic acid, organic saline derivatives of the mercaptoethansulphonic acid useful for these compositions, and related process for their preparation
  申请人：Schering Spa

  公开号：EP0198542A1

  公开（公告）日：1986-10-22

  The derivatives of the mercaptoethansulphonic acid are active in the therapy of the bladder carcinoma and in the therapy and prevention of the cistinic kidney calculi. The saline derivatives with basic aminoacids and their alkyl esters are moreover devoid of side effects. The latter derivatives are prepared by reacting, in aqueous or aqueous-alcoholic medium, equimolar amounts of mercaptoethansulphonic acid, just prepared from an organic or inorganic salt thereof, and of the desired aminoacid.

  巯基乙磺酸的衍生物在治疗膀胱癌、治疗和预防肉苁蓉性肾结石方面具有积极的作用。 此外，盐水衍生物与碱性氨基酸及其烷基酯也没有副作用。 后者的制备方法是在水或水-醇介质中，将等摩尔量的巯基乙磺酸（刚从其有机或无机盐中制备出来）和所需的氨基酸进行反应。
• Method for diagnosing, preventing, and treating neurological diseases
  申请人：Department of Veterans Affairs

  公开号：US10130614B2

  公开（公告）日：2018-11-20

  The invention provides for methods of treating autism associated with Desulfovibrio overgrowth in the gastrointestinal tract of a patient, said method comprising administering to the patient suffering from said autism a treatment course of aztreonam in an amount effective to treat autism in the patient, thereby treating autism.

  本发明提供了治疗与患者胃肠道中脱硫弧菌过度生长有关的自闭症的方法，所述方法包括向患有所述自闭症的患者施用一个疗程的阿曲霉素，其用量应能有效治疗患者的自闭症，从而治疗自闭症。
• Interactions of aromatic amino acids with heterocyclic ligand: An IR spectroscopic study
  作者：E. Yu. Tyunina、V. G. Badelin、G. N. Tarasova

  DOI：10.1134/s0036024415080300

  日期：2015.9

  The interactions of L-phenylalanine and L-tryptophan with nicotinic acid and uracyl in an aqueous buffer solution at pH 7.35 were studied by IR spectroscopy. The contributions of various functional groups to the complexation of aromatic amino acids with heterocyclic ligands were determined from the IR spectra of the starting substances and their mixtures.
• METHOD FOR DIAGNOSING, PREVENTING, AND TREATING NEUROLOGICAL DISEASES
  申请人：Finegold Sydney Martin

  公开号：US20120252775A1

  公开（公告）日：2012-10-04

  The invention provides for methods of treating autism associated with Desulfovibrio overgrowth in the gastrointestinal tract of a patient, said method comprising administering to the patient suffering from said autism a treatment course of aztreonam in an amount effective to treat autism in the patient, thereby treating autism.