Theanin | 533-84-6

• 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: Theanin
• 英文别名: 4-Amino-5-(ethylamino)-5-oxopentanoic acid
• CAS: 533-84-6
• 化学式: C₇H₁₄N₂O₃
• 分子量: 174.2
• InChiKey: SRIIMQZWRXQOGT-UHFFFAOYSA-N

物化性质

• 沸点：
  432.2±40.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  4

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 = CH2 ，R1 = H，R2 = H；（Ic）R = CH2 ，R1 = Cl，R2 = H；（Id）R = CH2 ，R1 = Br，R2 = H；（Ie）R = CH2 ，R1 = F，R2 = H；（If）R = CH2 ，R1 = NO2，R2 = H；（Ig）R = CH2 ，R1 = Cl，R2 = Cl；（Ih）R = CH2 ，R1 = Br，R2 = Br；（Ii）R = CH2 ，R1 = NH2，R2 = H。其中，（IIa）R = ；（IIb）R = CH2 。其中，（IIIc）R1 = Cl，R2 = H；（IIId）R1 = Br，R2 = H；（IIIe）R1 = F，R2 = H；（IIIf）R1 = ，R2 = H；（IIIg）R1 = Cl，R2 = Cl；（IIIh）R1 = Br，R2 = Br。
• Method for the treatment of human or animal cells, tissue cultures and/or organs outside the human or animal body
  申请人：——

  公开号：US20020127286A1

  公开（公告）日：2002-09-12

  The present invention is directed to a method for the treatment of human or animal cells, tissue cultures and/or organs outside the human or animal body, wherein said human or animal cells, tissues and/or organs are in need of: (i) prevention or considerable reduction of the formation of tissue necrosis and/or atrophy and/or the prevention or considerable reduction of the premature mortification of vascularized and non-vascularized cells and cellular tissues/colonies, and (ii) prevention or considerable reduction of adhesion of a human or animal cell to cells or cell unions of different non-histocompatible tissue types while promoting adhesion of said cell to cells or cell unions of the same tissue type; comprising administering to said human or animal cells, tissue cultures and/or organs outside the human or animal body and in need of treatment a medicament, a medical care product, a food product or an ingredient for tissue culture media, which comprises a treatment-effective amount of a partial extract of non-fermented Camellia sinensis L., obtained by extracting non-fermented Camellia sinensis L. with a mixture of alcohol and water, wherein said extract comprises phenylchroman derivatives, caffeine, theobromine, glutaminic acid-ethylamide, flavonoides and plant acids.

  本发明涉及一种治疗人或动物细胞、组织培养物和/或人或动物体外器官的方法，其中所述人或动物细胞、组织和/或器官需要： (i) 预防或大大减少组织坏死和/或萎缩的形成，和/或预防或大大减少血管化和非血管化细胞和细胞组织/团块的过早死亡，以及 (ii) 预防或显著减少人或动物细胞与不同非组织相容性组织类型的细胞或细胞团的粘附，同时促进所述细胞与相同组织类型的细胞或细胞团的粘附； 包括向所述需要治疗的人或动物细胞、组织培养物和/或人或动物体外的器官施用一种药物、一种医疗护理产品、一种食品或一种组织培养基成分，该药物、医疗护理产品、食品或组织培养基成分包括具有治疗效果量的非发酵山茶花的部分提取物 山茶花 的部分提取物，该提取物是通过提取非发酵的 山茶 L. 的部分提取物，其中所述提取物包括苯并二氢吡喃衍生物、咖啡因、可可碱、谷氨酰胺、黄酮类化合物和植物酸。
• 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
• Glucosamine-peptide derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0014984B1

  公开（公告）日：1982-12-01
• JPS58170703A
  申请人：——

  公开号：JPS58170703A

  公开（公告）日：1983-10-07