N,N-bis(2-hydroxyethyl)-N'-phenylurea | 20074-78-6

• 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: N,N-bis(2-hydroxyethyl)-N'-phenylurea
• 英文别名: N,N-Di-(2-hydroxy-ethyl)-N'-phenylharnstoff；1,1-[Di-(2-hydroxyethyl)]-3-phenylurea；1,1-Bis(2-hydroxyethyl)-3-phenylurea
• CAS: 20074-78-6
• 化学式: C₁₁H₁₆N₂O₃
• 分子量: 224.26
• InChiKey: ALKOIMFMTSTJME-UHFFFAOYSA-N

物化性质

• 沸点：
  494.4±45.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-bis(2-hydroxyethyl)-N'-phenylurea 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors

  摘要：

  To find potent and selective inhibitors of dipeptidyl peptidase IV (DPP-IV), we synthesized a series of 2-cyanopyrrolidine derivatives with constrained imidazolidin ring and tested their activities against DPP-IV. Most of them exhibited submicromolar inhibitory activities against DPP-IV. The most potent compound among these is (S)-1-(2-(2-(3-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl)ethyl-amino)acetyl)pyrrolidine-2-carbonitrile (6n), which is a 2 nM DPP-IV inhibitor. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.03.021
• 作为产物：
  描述：

  异氰酸苯酯 、 二乙醇胺 以 二氯甲烷 为溶剂， 反应 0.02h， 以1.14 g的产率得到N,N-bis(2-hydroxyethyl)-N'-phenylurea
  参考文献：
  名称：

  轻度和高产率的二氯化钼（VI）催化的二元，二元，三元和四氨基甲酸酯由醇和芳香族或脂族异氰酸酯形成

  摘要：

  二氯化钼（VI）二氧化钼（MoO 2 Cl 2）及其二甲基甲酰胺（DMF）络合物均催化将醇加成到异氰酸酯中，从而生成氨基甲酸酯。当以1mmol的比例工作时，使用0.1 mol％的催化剂，或以20 mmol的比例工作时仅100 ppm的条件下，大多数添加操作在室温下于20分钟内完成。当使用1摩尔％的催化剂时，立体阻碍的底物反应完全。二醇，三醇和四醇同样与单异氰酸酯反应，单官能醇和二异氰酸酯也是如此。这些配对分别提供了二氨基甲酸酯，三氨基甲酸酯，四氨基甲酸酯和二氨基甲酸酯。难溶于CH 2 Cl 2的反应物在室温下，需要升高温度，还可能选择沸点更高的溶剂（ClCH 2 CH 2 Cl，DMF）。将二醇添加到二异氰酸酯中也是可行的，如我们推测的那样得到聚氨基甲酸酯。

  DOI：

  10.1002/adsc.201200303

文献信息

• 3-(piperid-4-yl)-1,2-benzisoxazole and
  申请人：Adir et Compagnie

  公开号：US05780474A1

  公开（公告）日：1998-07-14

  Compounds of formula: ##STR1## wherein: A, m, n, E and Y are as defined in the description, the optical isomers thereof and the physiologically-tolerable salts thereof. These compounds, their optical isomers and their physiologically-tolerable salts, can be used as medicaments in the treatment of psychotic disorders, anxio-depressive disorders, and aggressiveness.

  式中的化合物：##STR1##其中：A、m、n、E和Y如描述中所定义，其光学异构体及其生理耐受盐。这些化合物、它们的光学异构体和它们的生理耐受盐可用作治疗精神障碍、焦虑抑郁症和攻击性的药物。
• New linear or cyclic ureas
  申请人：——

  公开号：US20010009911A1

  公开（公告）日：2001-07-26

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的化学式（I）如下：其中：V代表单键或烷基链，M代表单键或烷基链，A和E各代表氮或CH，但两个基团A或E中至少有一个代表氮，W代表化学式（i）、（ii）或（iii）中的一个基团：其中：X代表酰基、磺酰基或亚砜基，G1、G2和G3如描述中定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链（C1-C6）烷基、芳基或芳基-(C1-C6)烷基，其中烷基基团是线性或支链的，R2a和R2b，相同或不同，如描述中定义，R3代表芳基或杂芳基-A如描述中定义，这些基团可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂芳基-B如描述中定义，这些基团可以选择性地被取代，以及其异构体、水合物、溶剂合物及其与药用酸的加合物。含有该化合物的药物产品可用于治疗已知存在内皮功能障碍的疾病或病理状况。
• New linear cyclic ureas
  申请人：——

  公开号：US20030191132A1

  公开（公告）日：2003-10-09

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的式子(I)：其中：V代表单键或烷基链，M代表单键或烷基链，A和E分别代表氮或CH，但至少有一个A或E代表氮，W代表式子(i)，(ii)或(iii)的基团：其中：X代表羰基，磺酰基或硫氧化物，G1、G2和G3如说明书中所定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链(C1-C6)烷基、芳基或芳基-(C1-C6)烷基，其中烷基部分是线性或支链的，R2a和R2b相同或不同，如说明书中所定义，R3代表芳基或杂环芳基-A，其中每个基团都可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂环芳基-B，其中每个基团都可以选择性地被取代，其异构体、水合物、溶剂化物和其与药用可接受酸的加合物。含有此化合物的药物在治疗已知存在内皮功能障碍的疾病或病理条件中有用。
• Linear or cyclic ureas
  申请人：Les Laboratoires Servier

  公开号：US06566364B2

  公开（公告）日：2003-05-20

  Compound of formula (I): wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的式子（I）：其中：V代表单键或者烷基链，M代表单键或者烷基链，A和E分别代表氮或CH，但是其中至少一个A或E代表氮，W代表式子（i），（ii）或（iii）的一组：包含这些化合物的药品在治疗内皮功能障碍引起的疾病或病理情况方面有用。
• Linear cyclic ureas
  申请人：Les Laboratoires Servier

  公开号：US06780868B2

  公开（公告）日：2004-08-24

  Compounds of formula (I): wherein: V represents a single bond or a linear or branched (C1-C6)alkylene chain, M represents a single bond or a linear or branched (C1-C6)alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i): X represents carbonyl, G1 represents a linear C3 alkylene chain optionally containing a double bond and/or being optionally substituted by a hydroxyl group, their isomers, their hydrates, their solvates, and additional salts thereof with a pharmaceutically acceptable acid, and medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的化学式（I）：其中：V代表单键或线性或支链（C1-C6）烷基链，M代表单键或线性或支链（C1-C6）烷基链，A和E分别代表氮或CH，但至少两个基团A或E中的一个代表氮，W代表公式（i）的基团：X代表羰基，G1代表线性C3烷基链，可选地含有双键和/或被羟基取代，它们的异构体，它们的水合物，它们的溶剂化物以及它们与药学上可接受的酸的额外盐，以及含有它们的药物制剂，用于治疗已知存在内皮功能障碍的疾病或病理情况。