1-(2-氨基-2-甲基丙基)-3-甲基脲 | 87484-91-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 1-(2-氨基-2-甲基丙基)-3-甲基脲
• 英文名称: 1-(2-Amino-2-methyl-propyl)-3-methyl-urea
• 英文别名: N-(2-Amino-2-methylpropyl)-N'-methylurea；1-(2-amino-2-methylpropyl)-3-methylurea
• CAS: 87484-91-1
• 化学式: C₆H₁₅N₃O
• 分子量: 145.205
• InChiKey: ZBDOSTMCTCMZGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-氨基-2-甲基丙基)-3-甲基脲 、 2,3-epoxypropyl o-fluorobenzoate 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[1,1-dimethyl-2-(methylaminocarbonylamino)]ethylamino-2-hydroxypropyl 2-fluorobenzoate
  参考文献：
  名称：

  [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action

  摘要：

  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.

  DOI：

  10.1021/jm00374a013
• 作为产物：
  描述：

  异氰酸甲酯 、 1,2-二氨基-2-甲基丙烷 以 吡啶 为溶剂， 反应 1.08h， 以gave 11.6 g (90%) of product which的产率得到1-(2-氨基-2-甲基丙基)-3-甲基脲
  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

• NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE
  申请人：Shanghai Pharmaceuticals Holding Co., Ltd.

  公开号：EP3424928A1

  公开（公告）日：2019-01-09

  Disclosed are a nitrogenous heterocyclic compound, intermediates, a preparation method, a composition and use thereof. The nitrogenous heterocyclic compound in the present invention is as shown in formula I. The compound has a high inhibitory activity towards ErbB2 tyrosine kinase and a relatively good inhibitory activity towards human breast cancer BT-474 and human gastric cancer cell NCI-N87 which express ErbB2 at a high level, and at the same time has a relatively weak inhibitory activity towards EGFR kinase. Namely, the compound is a highly selective small-molecule inhibitor targeted at ErbB2, and hence it has a high degree of safety, and can effectively enlarge the safety window in the process of taking the drug.

  本公开揭示了一种含氮杂环化合物、中间体、制备方法、组合物及其用途。本发明中的含氮杂环化合物如公式I所示。该化合物对ErbB2酪氨酸激酶具有较高的抑制活性，并且对人类乳腺癌BT-474和人类胃癌细胞NCI-N87表达ErbB2的抑制活性相对较好，同时对EGFR激酶具有相对较弱的抑制活性。换句话说，该化合物是一种高度选择性的针对ErbB2的小分子抑制剂，因此具有很高的安全度，并且可以有效地扩大服药过程中的安全窗口。
• 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。
• Esters of aryloxypropanolamine derivatives and medicinal uses
  申请人：E. I. Du Pont de Nemours & Co., Inc.

  公开号：US04692446A1

  公开（公告）日：1987-09-08

  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.

  一般式为## STR1 ##的新化合物，其中R.sub.1为低烷基，低环烷基，低烯基，低炔基，低烷基羧甲基，芳基羧甲基，芳基或芳基烷基; A为直接键，低烷基，或低烯基; x为1或2，但当x大于1时，## STR2 ##组件的不同出现可以相同或不同; Ar为杂环，未取代的芳香族或芳香族取代低烷基，低烯基，低炔基，低烷氧基，卤素，乙酰胺，氨基，硝基，低烷基氨基，羟基，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可以相同或不同，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;及其药学上可接受的盐。
• 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；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，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，并且还可用于治疗青光眼。
• 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。