ethyl 2-(isopropylamino)-3-phenylpropanoate | 1357466-33-1

• 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: ethyl 2-(isopropylamino)-3-phenylpropanoate
• 英文别名: Ethyl 3-phenyl-2-(propan-2-ylamino)propanoate
• CAS: 1357466-33-1
• 化学式: C₁₄H₂₁NO₂
• mdl: MFCD12721510
• 分子量: 235.326
• InChiKey: NHKXTIJWACZDPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 2-(isopropylamino)acetate 在 氨 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 ethyl 2-(isopropylamino)-3-phenylpropanoate 、
  参考文献：
  名称：

  吗啉-2,5-二酮的氨解反应：伯酰胺基团的参与。第2部分

  摘要：

  研究了三种吗啉-2,5-二酮衍生物的氨解反应，并通过动力学研究和理论计算确定了机理。动力学，然后进行高效液相色谱分析，证明了存在两种中间体，这些中间体已被分离和表征。发生氨解反应的机制复杂，涉及两个连续的反应，然后是两个平行的反应。整个反应的第二步涉及伯酰胺基团的邻氨基苯甲酸酯辅助。伪一阶速率常数是通过适当的方程式计算得出的，这些方程式描述了过程的单个步骤。使用模型化合物进行了邻位伯酰胺基团参与的计算密度泛函理论研究，并生成了过渡态。理论计算证明氨起质子转移的作用。版权所有©2011 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.1884

文献信息

• [EN] PRODRUGS OF ITACONATE AND METHYL ITACONATE<br/>[FR] PROMÉDICAMENTS D'ITACONATE ET DE MÉTHYL-ITACONATE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2021087082A1

  公开（公告）日：2021-05-06

  Prodrugs of itaconic acid and 1- and 4-methyl itaconic acid and their use for treating a disease, disorder, or condition associated with inflammation are disclosed.

  公开了丙烯二酸及其1-甲基丙烯二酸和4-甲基丙烯二酸的前体药物，以及它们用于治疗与炎症相关的疾病、疾患或症状。
• Polymer derivative of macrolide immunosuppressant
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US10945997B2

  公开（公告）日：2021-03-16

  An object of the invention is to obtain a preparation which shows enhanced effectiveness and safety compared to tacrolimus, has the concentration in blood maintained at a constant level without individual differences, whereby the control of the amount of administration depending on the blood kinetics (blood trough concentration) becomes unnecessary. The present invention relates to a polymeric derivative of tacrolimus, in which a polyethylene glycol segment and an alcoholic hydroxy group of tacrolimus are bonded to side-chain carboxy groups of a polyaspartic acid derivative.

  本发明的目的是获得一种制剂，与他克莫司相比，该制剂显示出更高的有效性和安全性，其在血液中的浓度保持在一个恒定的水平，没有个体差异，从而无需根据血液动力学（血槽浓度）控制给药量。本发明涉及一种他克莫司的聚合物衍生物，其中聚乙二醇段和他克莫司的醇羟基与聚天冬氨酸衍生物的侧链羧基键合。
• MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME
  申请人：President and Fellows of Harvard College

  公开号：US20190350960A1

  公开（公告）日：2019-11-21

  The invention provides methods of modulating and regulating NHD protein-protein interactions through nicotinamide mononucleotide, analogs and derivatives thereof, such as NAD+. Such modulation may be useful in methods of treating and preventing cancer, aging, cell death, radiation damage, radiation exposure, among others, may improve DNA repair, cell proliferation, cell survival, among others, and may increase the life span of a cell or protect it against certain stresses, among others
• Polymer Derivative Of Macrolide Immunosuppressant
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US20200155518A1

  公开（公告）日：2020-05-21

  An object of the invention is to obtain a preparation which shows enhanced effectiveness and safety compared to tacrolimus, has the concentration in blood maintained at a constant level without individual differences, whereby the control of the amount of administration depending on the blood kinetics (blood trough concentration) becomes unnecessary. The present invention relates to a polymeric derivative of tacrolimus, in which a polyethylene glycol segment and an alcoholic hydroxy group of tacrolimus are bonded to side-chain carboxy groups of a polyaspartic acid derivative.
• RADIOACTIVE COMPOUND FOR TREATMENT OF MELANOMA AND USE THEREOF
  申请人：INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY

  公开号：US20210113719A1

  公开（公告）日：2021-04-22

  The present invention relates to a radioactive compound with improved targeting ability for melanoma and a pharmaceutical composition for the treating melanoma comprising the same, and the targeting ability for melanoma is improved as compared to the conventional contrast agent for melanoma. The radioactive compound according to an embodiment of the present invention shows a very excellent therapeutic effect on melanoma.