methyl 2-[2-Hydroxy-3-[N-[1,1-dimethyl-2-(aminocarbonylamino)ethyl]amino]propoxy]benzoate | 85864-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-[2-Hydroxy-3-[N-[1,1-dimethyl-2-(aminocarbonylamino)ethyl]amino]propoxy]benzoate
• 英文别名: Methyl 2-[3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzoate
• CAS: 85864-51-3
• 化学式: C₁₆H₂₅N₃O₅
• 分子量: 339.392
• InChiKey: ZUPUXMFRPNEXKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  水杨酸甲酯 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 28.0h， 生成 methyl 2-[2-Hydroxy-3-[N-[1,1-dimethyl-2-(aminocarbonylamino)ethyl]amino]propoxy]benzoate
  参考文献：
  名称：

  Ultra-short-acting .beta.-adrenergic receptor blocking agents. 3. Ethylenediamine derivatives of (aryloxy)propanolamines having esters on the aryl function

  摘要：

  Various ethylenediamine derivatives have been incorporated into the nitrogen substituent of certain short-acting (aryloxy)propanolamine systems that contain esters on their aryl functions. Although several of these compounds showed durations of action comparable to their prototypes, most of the nitrogen substituents significantly prolonged the duration of beta-adrenergic blockade. Similarly, while one of the compounds showed appreciable cardioselectivity in vitro, generally, little enhancement of cardioselectivity was obtained. A brief discussion of structure-activity relationships observed for the ethylenediamine derivatives is presented.

  DOI：

  10.1021/jm00362a004

文献信息

• Esters of thiadiazole oxypropanolaine derivatives and pharmaceutical uses
  申请人：American Hospital Supply Corporation

  公开号：US04623652A1

  公开（公告）日：1986-11-18

  Novel compounds of the general formula ##STR1## wherein R.sub.1 is lower alkyl, lower cycloalkyl, lower alkenyl, lower alkynyl, lower alkyl carboxymethyl, aryl carboxymethyl, aryl, or aralkyl; A is a direct bond, lower alkylene, or lower alkenylene; x is 1 or 2, provided that when x is greater than 1, different occurrences of the ##STR2## group may be the same or different; Ar is heterocyclic, unsubstituted aromatic or aromatic substituted with lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, halogen, acetamido, amino, nitro, lower alkylamino, hydroxy, lower hydroxyalkyl or cyano; W is alkylene containing from 1 to about 10 carbon atoms; and B is --NR.sub.2 COR.sub.3, --NR.sub.2 CONR.sub.3 R.sub.4, --NR.sub.2 SO.sub.2 R.sub.3, --NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4, or --NR.sub.2 COOR.sub.5, wherein R.sub.2, R.sub.3, R.sub.4 and R.sub.5 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, alkoxyaryl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.3 and R.sub.5 are not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.3 or --NR.sub.2 COOR.sub.5, or R.sub.3 and R.sub.4 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof.

  通用公式为##STR1##的新型化合物，其中R.sub.1是较低的烷基、较低的环烷基、较低的烯基、较低的炔基、较低的烷基羧甲基、芳基羧甲基、芳基或芳基烷基；A是直链键、较低的烷基烯烃或较低的烯烃基；x为1或2，但当x大于1时，##STR2##基的不同发生位置可能相同或不同；Ar为杂环、未取代的芳香族或芳香族取代的较低烷基、较低烯基、较低炔基、较低烷氧基、卤素、乙酰胺基、氨基、硝基、较低烷基氨基、羟基、较低羟基烷基或氰基；W为含有1至约10个碳原子的烷基；B为--NR.sub.2 COR.sub.3、--NR.sub.2 CONR.sub.3 R.sub.4、--NR.sub.2 SO.sub.2 R.sub.3、--NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4或--NR.sub.2 COOR.sub.5，其中R.sub.2、R.sub.3、R.sub.4和R.sub.5可能相同也可能不同，可以是氢、烷基、烷氧基烷基、烷氧基芳基、环烷基、烯基、炔基、芳基、杂环芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.3或--NR.sub.2 COOR.sub.5时，R.sub.3和R.sub.5不是氢，或者R.sub.3和R.sub.4可以与N一起形成5到7个成员的杂环基团；及其药用盐。
• ERHARDT, PAUL W.;MATIER, WILILAM L.
  作者：ERHARDT, PAUL W.、MATIER, WILILAM L.

  DOI：——

  日期：——
• ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0093155B1

  公开（公告）日：1986-08-27
• EP0093155A4
  申请人：——

  公开号：EP0093155A4

  公开（公告）日：1984-04-24
• US4623652A
  申请人：——

  公开号：US4623652A

  公开（公告）日：1986-11-18