N-[2-(2,3-二羟基丙基氨基)乙基]-2-甲基丙酰胺 | 87721-44-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[2-(2,3-二羟基丙基氨基)乙基]-2-甲基丙酰胺
• 英文名称: 3-[(2-ISOPROPYLCARBONYLAMINO)ETHYLAMINO]1,2-PROPANEDIOL
• 英文别名: 3-[2-(isopropylcarbonylamino)ethylamino]-1,2-propandiol；N-[2-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide
• CAS: 87721-44-6
• 化学式: C₉H₂₀N₂O₃
• 分子量: 204.269
• InChiKey: BFFIZFIPRRBFJB-UHFFFAOYSA-N

物化性质

• 沸点：
  450.6±40.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  81.6
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(2,3-二羟基丙基氨基)乙基]-2-甲基丙酰胺 、 4-甲氧基苄氧基羰酰叠氮物 生成 (4-methoxyphenyl)methyl N-(2,3-dihydroxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]carbamate
  参考文献：
  名称：

  KAM, SHEUNG T.;MATIER, WILLIAM L.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2-氨基乙基)-2-甲基丙酰胺 、 缩水甘油 在 silica gel ethanol 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以to give 18.6 g (30%) of product的产率得到N-[2-(2,3-二羟基丙基氨基)乙基]-2-甲基丙酰胺
  参考文献：
  名称：

  Aromatic and esters of hydroxypropylamines

  摘要：

  通式为##STR1##的新化合物，其中Ar代表取代或未取代的芳香或杂环基团；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1、--NR.sub.2 CONR.sub.1 R.sub.3、--NR.sub.2 SO.sub.2 R.sub.1、--NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1、R.sub.2和R.sub.3可以相同或不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、芳基、杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5至7元杂环基团；以及其药学上可接受的盐。这些化合物表现出β-肾上腺素能阻滞活性，并且在青光眼的治疗中也有用。

  公开号：

  US04582855A1

文献信息

• 2-hydroxypropylamine heteroaryl ester derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04798892A1

  公开（公告）日：1989-01-17

  The present invention relates to compounds of the general formula ##STR1## wherein Ar represents a substituted or unsubstituted heterocyclic group; W represents alkylene of from 1 to about 10 carbon atoms; and B represents --NR.sub.2 COR.sub.1, --NR.sub.2 CONR.sub.1 R.sub.3, --NR.sub.2 SO.sub.2 R.sub.1, NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3, or --NR.sub.2 COOR.sub.1, wherein R.sub.1, R.sub.2 and R.sub.3 may be alike or different and may be hydrogen, alkyl, alkoxyalkyl cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.1 is not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.1 or --NR.sub.2 COOR.sub.1, or R.sub.1 and R.sub.3 may together with N form a 5 to 7 membered heterocyclic group and the pharmaceutically acceptable salts thereof. The compounds exhibit beta-adrenergic blocking activity and are also useful in the treatment of glaucoma.

  本发明涉及一般式为##STR1##的化合物，其中Ar代表取代或未取代的杂环基团；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1，--NR.sub.2 CONR.sub.1 R.sub.3，--NR.sub.2 SO.sub.2 R.sub.1，NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1，R.sub.2和R.sub.3可能相同也可能不同，可以是氢，烷基，烷氧基烷基，环烷基，烯基，炔基，芳基，杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5到7成员的杂环基团，以及其药用盐。这些化合物表现出β-肾上腺素受体阻滞活性，并且在青光眼的治疗中也很有用。
• 2-hydroxypropylamine aryl ester derivatives and pharmaceutical use
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04935421A1

  公开（公告）日：1990-06-19

  Novel compounds of the general formula ##STR1## wherein Ar represents a substituted or unsubstituted aromatic or heterocyclic group; W represents alkylene of from 1 to about 10 carbon atoms; and B represents --NR.sub.2 COR.sub.1, --NR.sub.2 CONR.sub.1 R.sub.3, --NR.sub.2 SO.sub.2 R.sub.1, --NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3, or --NR.sub.2 COOR.sub.1 wherein R.sub.1, R.sub.2 and R.sub.3 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.1 is not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.1 or --NR.sub.2 COOR.sub.1, or R.sub.1 and R.sub.3 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof. These compounds exhibit .beta.-adrenergic blocking activity and are also useful in the treatment of glaucoma.

  一般式为##STR1##的新化合物，其中Ar代表取代或未取代的芳香或杂环基；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1、--NR.sub.2 CONR.sub.1 R.sub.3、--NR.sub.2 SO.sub.2 R.sub.1、--NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1、R.sub.2和R.sub.3可以相同或不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、芳基、杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5到7个成员的杂环基；以及其药学上可接受的盐。这些化合物表现出β-肾上腺素能阻断活性，并且在青光眼的治疗中也有用。
• 2-hydroxypropylamine aryl ester derivatives
  申请人：E. I. du Pont de Nemours and Company

  公开号：US04810717A1

  公开（公告）日：1989-03-07

  Novel compounds of the general formula ##STR1## wherein Ar represents a substituted or unsubstituted aromatic or heterocyclic group; W represents alkylene of from 1 to about 10 carbon atoms; and B represents --NR.sub.2 COR.sub.1, --NR.sub.2 CONR.sub.1 R.sub.3, --NR.sub.2 SO.sub.2 R.sub.1, --NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3, or --NR.sub.2 COOR.sub.1 wherein R.sub.1, R.sub.2 and R.sub.3 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.1 is not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.1 or --NR.sub.2 COOR.sub.1, or R.sub.1 and R.sub.3 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof. These compounds exhibit .beta.-adrenergic blocking activity and are also useful in the treatment of glaucoma.

  通式为##STR1##的新化合物，其中Ar代表取代或未取代的芳香或杂环基团；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1，--NR.sub.2 CONR.sub.1 R.sub.3，--NR.sub.2 SO.sub.2 R.sub.1，--NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1，R.sub.2和R.sub.3可以相同或不同，可以是氢，烷基，烷氧基烷基，环烷基，烯基，炔基，芳基，杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或R.sub.1和R.sub.3可以与N一起形成5到7个成员的杂环基团；以及其药学上可接受的盐。这些化合物表现出β-肾上腺素能阻滞活性，并且在青光眼的治疗中也有用。
• [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action
  作者：Sheung Tsam Kam、William L. Matier、Khuong X. Mai、Cynthia Barcelon-Yang、Robert J. Borgman、John P. O'Donnell、Herman F. Stampfli、Check Y. Sum、William G. Anderson

  DOI：10.1021/jm00374a013

  日期：1984.8

  Novel [(arylcarbonyl)oxy]propanolamines were synthesized and investigated as potential ultrashort-acting beta-adrenergic receptor blockers. Many of these analogues exhibited good potency and short duration. The N-ureidoalkyl analogue 85 (ACC-9089) has a potency equal to propranolol and a duration of action of about 21 min in the dog. It has been selected as a candidate for further clinical study. Structure-activity relationships and structure-duration relationships for these new beta-blockers are also discussed.
• KAM, SHEUNG T.;MATIER, WILLIAM L.;PATIL, GHANSHYAM;MAI, KHUONG H. X.
  作者：KAM, SHEUNG T.、MATIER, WILLIAM L.、PATIL, GHANSHYAM、MAI, KHUONG H. X.

  DOI：——

  日期：——