N-(4-Ethoxyphenyl)-N'-[3-(3-piperidinomethylphenoxy)propyl]urea | 120959-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-(4-Ethoxyphenyl)-N'-[3-(3-piperidinomethylphenoxy)propyl]urea
• 英文别名: 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
• CAS: 120959-22-0
• 化学式: C₂₄H₃₃N₃O₃
• 分子量: 411.544
• InChiKey: VGMNPCYWENQXQM-UHFFFAOYSA-N

物化性质

• 熔点：
  109-111 °C(Solv: ethanol (64-17-5))
• 沸点：
  555.3±50.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  62.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-3-[3-(1-哌啶甲基)-苯氧基]丙胺 生成 N-(4-Ethoxyphenyl)-N'-[3-(3-piperidinomethylphenoxy)propyl]urea
  参考文献：
  名称：

  MATSUKUBO, XIROSI;MATSUMOTO, TOEMI;MIYASITA, MITSUTOMO;OKAMURA, XISAYA;TA+

  摘要：

  DOI：

文献信息

• Anti-ulcer urea derivatives
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US04952591A1

  公开（公告）日：1990-08-28

  Urea derivatives of the following formula, ##STR1## wherein R.sub.1 indicates a piperidino group or pyrrolidino group which may be substituted with hydroxy group or lower alkyl group having 1 to 3 carbon atoms; A indicates an ethylene group, propylene group, butylene group or butenylene group; R.sub.2 indicates a straight or branched alkyl group having 1 to 20 carbon atoms, cycloalkyl group having 3 to 6 carbon atoms, benzyl group, or phenyl group which may have 1 to 3 substituents such as lower alkyl group having 1 to 6 carbon atoms, lower alkoxy group having 1 to 3 carbon atoms, halogen atom, trifluoromethyl group, amino group, nitro group or methylenedioxy group; X indicates an oxygen or sulfur atom, the hydrates and pharmaceutically acceptable acid addition salts thereof are useful as antiulcer agents.

  尿素衍生物的化学式如下：##STR1## 其中R.sub.1表示一个哌啶基团或吡咯啉基团，可以被氢氧基或含有1至3个碳原子的较低烷基基团取代；A表示一个乙烯基、丙烯基、丁烯基或丁二烯基；R.sub.2表示一个直链或支链烷基基团，含有1至20个碳原子，环烷基基团，含有3至6个碳原子，苄基或苯基，可能有1至3个取代基，如含有1至6个碳原子的较低烷基基团、含有1至3个碳原子的较低烷氧基团、卤原子、三氟甲基基团、氨基、硝基或亚甲基二氧基基团；X表示一个氧原子或硫原子，其水合物和药学上可接受的酸盐对抗溃疡剂具有用途。
• Urea derivatives
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US05077302A1

  公开（公告）日：1991-12-31

  Urea derivatives of the following formula: ##STR1## wherein R.sub.2 indicates a piperidino or pyrrolidino group which may be substituted with a hydroxy group or a lower alkyl group having 1 to 13 carbon atoms; A indicates an ethylene group, propylene group, butylene group or butenylene group; R.sub.2 indicates a straight or branched alkyl group having 1 to 20 carbon atoms, a benzyl group, or a phenyl group which may have 1 to 3 substituents such as a lower alkyl group having 1 to 6 carbon atoms, a lower alkoxy group having 1 to 3 carbon atoms, a halogen atom, a trifluoromethyl group, an amino group, a nitro group or a methylenedioxy group; and X indicates an oxygen or sulfur atom, as well as the hydrates and pharmaceutically acceptable salts thereof are useful antiulcer agents.

  以下公式的尿素衍生物：## STR1 ## 其中，R.sub.2表示一个哌啶基或吡咯烷基，该基团可以被一个羟基或一个具有1至13个碳原子的低级烷基基团取代; A表示乙烯基，丙烯基，丁烯基或丁二烯基; R.sub.2表示一个直链或支链烷基，其具有1至20个碳原子，苯甲基或苯基，其可以具有1至3个取代基，例如具有1至6个碳原子的低级烷基基团，具有1至3个碳原子的低级烷氧基团，卤素原子，三氟甲基基团，氨基，硝基或亚甲二氧基基团; X表示氧原子或硫原子，以及其水合物和药学上可接受的盐是有用的抗溃疡剂。
• Synthesis and antiulcer activity of N-substituted N'-[3-[3-(piperidinomethyl)phenoxy]propyl]ureas: histamine H2-receptor antagonists with potent mucosal protective activity
  作者：Mitsutomo Miyashita、Toyomi Matsumoto、Hiroshi Matsukubo、Fujio Iinuma、Fukutaro Taga、Haruo Sekiguchi、Katsuhiro Hamada、Kyuya Okamura、Keigo Nishino

  DOI：10.1021/jm00091a012

  日期：1992.6

  As an aim toward developing new antiulcer agents, new N-substituted N'-[3-[3-(piperidinomethyl)phenoxylpropyl]ureas were synthesized and evaluated for histamine H-2-receptor antagonistic, gastric antisecretory, and gastric mucosal protective activities. A QSAR study showed that the most favorable N-substituents were electron-donating straight-chain alkyl groups of short length such as ethyl group from the viewpoint of dual action, i.e., gastric antisecretory and mucosal protective actions. Among the ureas studied, compounds 4, 5, and 8-10 were selected as candidates for further study.
• MATSUKUBO, XIROSI;MATSUMOTO, TOEMI;MIYASITA, MITSUTOMO;OKAMURA, XISAYA;TA+
  作者：MATSUKUBO, XIROSI、MATSUMOTO, TOEMI、MIYASITA, MITSUTOMO、OKAMURA, XISAYA、TA+

  DOI：——

  日期：——
• MATSUKUBO, HIROSHI;MATSUMOTO, TOYOMI;MIYASHITA, MITSUTOMO;OKAMURA, KYUYA;+
  作者：MATSUKUBO, HIROSHI、MATSUMOTO, TOYOMI、MIYASHITA, MITSUTOMO、OKAMURA, KYUYA、+

  DOI：——

  日期：——