3-氨基-3-苯基丙酸乙酯 | 6335-76-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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
• 中文名称: 3-氨基-3-苯基丙酸乙酯
• 英文名称: 3-amino-3-phenylpropionic acid ethyl ester
• 英文别名: Ethyl 3-amino-3-phenylpropionate；Ethyl 3-amino-3-phenylpropanoate
• CAS: 6335-76-8
• 化学式: C₁₁H₁₅NO₂
• mdl: MFCD00749016
• 分子量: 193.246
• InChiKey: NUWRDXMXYDWUAN-UHFFFAOYSA-N

物化性质

• 熔点：
  111-112℃ (water ethanol )
• 沸点：
  155 °C(Press: 13 Torr)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存放在2-8°C的环境中，避免光照，并保存在惰性气体中。

制备方法与用途

3-氨基-3-苯基丙酸乙酯是一种β氨基酸衍生物，广泛用于药物合成。

反应信息

• 作为反应物：
  描述：

  3-氨基-3-苯基丙酸乙酯 在 lithium aluminium tetrahydride 作用下， 生成 3-氨基-3-苯基-1-丙醇
  参考文献：
  名称：

  The Preparation and Deamination of Some 1,3-Amino Alcohols

  摘要：

  DOI：

  10.1021/ja01597a053
• 作为产物：
  描述：

  反式-肉桂酸乙酯 在 氨 作用下， 生成 3-氨基-3-苯基丙酸乙酯
  参考文献：
  名称：

  Vegetation dynamics in central european forest ecosystems (near-natural as well as managed) after storm events

  摘要：

  All over the world forests and woodlands are damaged or reset to initial stages by fire, insect outbreaks or storms. In Central Europe storm events are the most important natural disturbances affecting stand structures of both natural and managed forests and yet only a few studies exist on long-term forest development following the destruction of the tree layer by a storm. This paper presents a permanent plot study established in 1988 in the Bavarian Forest National Park (SE Germany) on areas, where the tree layer had been destructed by a storm on August 1, 1983. The records concerning (1) floristic composition (spermatophytes, pteridophytes, bryophytes, lichens) and cover degree, (2) location and shape of each tree higher than I meter (height, diameter at breast height) including position of fallen trees and (3) number of seedlings and saplings were taken in 1988, 1993 and 1998. Two windfall areas, situated next to each other in the same broad and flat valley bottom on wet soils under local cold climate conditions (potential as well as recent vegetation: Calamagrostio villosae-Piceetum bazzanietosum) were analyzed, one of them with completely free development after the storm event ("untouched"), the other with dead wood cleared off after the event, but thereafter with free development ("cleared"). The vegetation analysis separated two major trends in vegetation dynamics: (1) On the cleared plots with intensive soil-surface disturbance (removal of the damaged wood) the species composition changed towards pioneer herb vegetation (Rubus sp.), and pioneer forest species (here: birch, Betula pendula and/or B. pubescens) established. Subsequently, vegetation dynamics leading towards clusters of forest ground-layer species composition took place. (2) In untouched stands, where soil-surface disturbances were restricted to pit-and-mound-system created by uprooted trees, the patchiness of forest vegetation increased and a regeneration of mainly terminal tree species (here: Norway spruce, Picea abies) started. Stand development for the next 100 years was simulated using the model FORSKA-M. The model is individual-based and includes competition for light, soil water, and nutrients. The simulations suggest that floristic structures of cleared and untouched plots, respectively, will remain different for several decades, but within one century, the floristic structure becomes rather similar. Major processes in forest ecosystems which can be used to improve forest management and nature conservation practices have been identified based on the results of the case study.

  DOI：

  10.1007/bf02803188

文献信息

• Quinolizinones as integrin inhibitors
  申请人：Biochem Pharma, Inc.

  公开号：US06630488B1

  公开（公告）日：2003-10-07

  The present invention is directed towards novel compounds that are effective inhibitors of integrins, particularly &agr;IIb&bgr;3 or &agr;v integrins such as &agr;v&bgr;3 and &agr;v&bgr;5. One embodiment of the present invention comprises a compound of formula (I) or formula (II) or a pharmaceutically acceptable salt, solvate, or metabolic precursor thereof. R1, R2, R3, and R4 are defined herein.

  本发明涉及一种新型化合物，它们是有效的整合素抑制剂，特别是αIIbβ3或αv整合素，如αvβ3和αvβ5。本发明的一个实施例包括式(I)或式(II)的化合物，或其药学上可接受的盐、溶剂或代谢前体。R1、R2、R3和R4在此处被定义。
• Integrin-Mediated drug targeting
  申请人：Lerchen Hans-Georg

  公开号：US20060189544A1

  公开（公告）日：2006-08-24

  The present invention relates to cytostatics which have a tumour-specific action as a result of linkage to α v β 3 integrin antagonists via preferred linking units. The preferred linking units guarantee serum stability of the conjugate of cytostatic and α v β 3 integrin antagonist and at the same time the desired intracellular action in tumour cells as a result of their enzymatic or hydrolytic cleavability with release of the cytostatic.

  本发明涉及细胞毒药物，由于与αvβ3整合素拮抗剂通过优选连接单元的连接而具有肿瘤特异性作用。优选连接单元保证细胞毒药物和αvβ3整合素拮抗剂的结合物在血清中的稳定性，同时由于它们在肿瘤细胞内的酶解或水解性而释放细胞毒药物，从而实现所需的细胞内作用。
• Discovery of an Orally Active Non-Peptide Fibrinogen Receptor Antagonist Based on the Hydantoin Scaffold
  作者：Hans Ulrich Stilz、Wolfgang Guba、Bernd Jablonka、Melitta Just、Otmar Klingler、Wolfgang König、Volkmar Wehner、Gerhard Zoller

  DOI：10.1021/jm001068s

  日期：2001.4.1

  Antagonists of the platelet fibrinogen receptor (GP IIb/IIIa receptor) are expected to be a promising new class of antithrombotic agents. The binding of fibrinogen to the fibrinogen receptor depends on an Arg-Gly-Asp-Ser (RGDS) tetrapeptide recognition motif. Structural modifications of the RGDS lead have led to the discovery of a non-peptide RGD mimetic GP IIb/IIIa antagonist 44 (S 1197). Compound

  血小板纤维蛋白原受体（GP IIb / IIIa受体）的拮抗剂有望成为一种有前途的新型抗血栓药。纤维蛋白原与纤维蛋白原受体的结合取决于Arg-Gly-Asp-Ser（RGDS）四肽识别基序。RGDS导联的结构修饰导致发现了非肽RGD模拟GP IIb / IIIa拮抗剂44（S 1197）。化合物44以剂量依赖和可逆的方式抑制人和狗的血小板聚集以及125I-纤维蛋白原与ADP激活的人凝胶过滤的血小板和分离的GP IIb / IIIa的结合，K（i）的K（i）值为9 nM和0.17 nM ， 分别。使用QXP进行药效团映射的程序以及应用GRID / GOLPE方法进行的3D-QSAR分析产生了稳定的，相当可预测的模型，并揭示了对绑定非常重要的结构特征。在乙内酰脲核和C-末端的疏水取代均增加了对血纤蛋白原受体的亲和力。结晶乙酯前药48（HMR 1794）是一种口服活性抗血栓药，是治疗人类血栓性疾病的有前途的候选药物。
• COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF
  申请人：WIGEN BIOMEDICINE TECHNOLOGY (SHANGHAI) CO., LTD.

  公开号：US20200190066A1

  公开（公告）日：2020-06-18

  It is related to compounds used as autophagy modulators and a method for preparing and using the same, specifically providing a compound of general formula (I), or pharmaceutically acceptable salts thereof, which is a type of autophagy modulators, particularly mammalian ATG8 homologues modulators.

  该内容涉及作为自噬调节剂的化合物及其制备和使用方法，具体提供了一类具有通用公式(I)的化合物，或其药用可接受盐，这是一种自噬调节剂，特别是哺乳动物ATG8同源物调节剂。
• Nitrogen heterocycle biaryls for osteoporosis and other diseases
  申请人：Letourneau John Jeffrey

  公开号：US20050222203A1

  公开（公告）日：2005-10-06

  Nitrogen heterocycle biaryls having a carboxylate terminus are useful for treating endometriosis, osteoporosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity. Compounds of formula: are disclosed. A representative example is

  氮杂环联苯具有羧酸末端，可用于治疗子宫内膜异位症、骨质疏松症、血管成形术后再狭窄、类风湿关节炎、癌症、黄斑变性和肥胖症。 公开了以下化合物的结构： 代表性示例是