theanine ethyl ester

• 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: theanine ethyl ester
• 英文别名: Theanine ethyl ester；ethyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
• 化学式: C₉H₁₈N₂O₃
• 分子量: 202.254
• InChiKey: JYYILPKRJDOTRS-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-溴香豆素-3-甲酸 、 theanine ethyl ester 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 ethyl (2R)-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-5-(ethylamino)-5-oxopentanoate
  参考文献：
  名称：

  CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF

  摘要：

  公开号：

  EP2902388B1
• 作为产物：
  描述：

  乙醇 、 茶氨酸 以 甲醇 、 磺酰氯 为溶剂， 反应 1.0h， 生成 theanine ethyl ester
  参考文献：
  名称：

  CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF

  摘要：

  本发明涉及一种由茶氨酸衍生物和羧酸香豆素衍生物缩合而成的式（I）化合物，以及式（II）和式（III）化合物，它们都是缩合产物的中间体，制备这些化合物的方法，包含这些化合物的药物组合物，以及它们在制备预防和治疗肿瘤、炎症、心血管疾病、免疫缺陷病等药物中的用途。其中，（Ia）R = CH3，R1 = H，R2 = H；（Ib）R = CH2CH3，R1 = H，R2 = H；（Ic）R = CH2CH3，R1 = Cl，R2 = H；（Id）R = CH2CH3，R1 = Br，R2 = H；（Ie）R = CH2CH3，R1 = F，R2 = H；（If）R = CH2CH3，R1 = NO2，R2 = H；（Ig）R = CH2CH3，R1 = Cl，R2 = Cl；（Ih）R = CH2CH3，R1 = Br，R2 = Br；（Ii）R = CH2CH3，R1 = NH2，R2 = H。其中，（IIa）R = CH3；（IIb）R = CH2CH3。其中，（IIIc）R1 = Cl，R2 = H；（IIId）R1 = Br，R2 = H；（IIIe）R1 = F，R2 = H；（IIIf）R1 = NO2，R2 = H；（IIIg）R1 = Cl，R2 = Cl；（IIIh）R1 = Br，R2 = Br。

  公开号：

  US20150239861A1

文献信息

• CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF
  申请人：SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC.

  公开号：US20150239861A1

  公开（公告）日：2015-08-27

  The present invention relates to a compound as represented by formula (I), which is a condensation product of a theanine derivative and a carboxylic acid coumarin derivative, compounds as represented by formula (II) and formula (III), both of which are intermediates of the condensation product, a method for preparing these compounds, a pharmaceutical composition comprising the compounds, and a use thereof in preparing a medicament for prevention and treatment of tumors, inflammation, cardiovascular diseases, immune deficiency diseases and the like. Wherein, (Ia) R═CH 3 R 1 ═H R 2 ═H (Ib) R═CH 2 CH 3 R 1 ═H R 2 ═H (Ic) R═CH 2 CH 3 R 1 ═Cl R 2 ═H (Id) R═CH 2 CH 3 R 1 ═Br R 2 ═H (Ie) R═CH 2 CH 3 R 1 ═F R 2 ═H (If) R═CH 2 CH 3 R 1 ═NO 2 R 2 ═H (Ig) R═CH 2 CH 3 R 1 ═Cl R 2 ═Cl (Ih) R═CH 2 CH 3 R 1 ═Br R 2 ═Br (Ii) R═CH 2 CH 3 R 1 ═NH 2 R 2 ═H Wherein, (IIa) R═CH 3 (IIb) R═CH 2 CH 3 Wherein, (IIIc) R 1 ═Cl R 2 ═H (IIId) R 1 ═Br R 2 ═H (IIIe) R 1 ═F R 2 ═H (IIIf) R 1 ═NO 2 R 2 ═H (IIIg) R 1 ═Cl R 2 ═Cl (IIIh) R 1 ═Br R 2 ═Br

  本发明涉及一种由茶氨酸衍生物和羧酸香豆素衍生物缩合而成的式（I）化合物，以及式（II）和式（III）化合物，它们都是缩合产物的中间体，制备这些化合物的方法，包含这些化合物的药物组合物，以及它们在制备预防和治疗肿瘤、炎症、心血管疾病、免疫缺陷病等药物中的用途。其中，（Ia）R = CH3，R1 = H，R2 = H；（Ib）R = CH2CH3，R1 = H，R2 = H；（Ic）R = CH2CH3，R1 = Cl，R2 = H；（Id）R = CH2CH3，R1 = Br，R2 = H；（Ie）R = CH2CH3，R1 = F，R2 = H；（If）R = CH2CH3，R1 = NO2，R2 = H；（Ig）R = CH2CH3，R1 = Cl，R2 = Cl；（Ih）R = CH2CH3，R1 = Br，R2 = Br；（Ii）R = CH2CH3，R1 = NH2，R2 = H。其中，（IIa）R = CH3；（IIb）R = CH2CH3。其中，（IIIc）R1 = Cl，R2 = H；（IIId）R1 = Br，R2 = H；（IIIe）R1 = F，R2 = H；（IIIf）R1 = NO2，R2 = H；（IIIg）R1 = Cl，R2 = Cl；（IIIh）R1 = Br，R2 = Br。
• Composition and Method for Reducing Stress
  申请人：Lee Melissa

  公开号：US20090281186A1

  公开（公告）日：2009-11-12

  The present invention relates to a composition and method for reducing stress, in a mammal, wherein said composition acts by modulating levels and activities of various neurotransmitters and enhancing the phosphotidyl-inositol second messenger system affected by neurotransmitters. The composition of the present invention comprises at least L-theanine, including derivatives of L-theanine, and inositol, including derivatives of inositol.
• US9518038B2
  申请人：——

  公开号：US9518038B2

  公开（公告）日：2016-12-13
• CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF
  申请人：Shandong Yingdong Yinghao Biotechnology, Inc.

  公开号：EP2902388B1

  公开（公告）日：2019-03-13