1-(3-氯丙基)-3-苯基脲 | 3420-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-氯丙基)-3-苯基脲
• 英文名称: N-(3-Chlor-propyl)-N'-phenyl-harnstoff
• 英文别名: 1-(3-Chloropropyl)-3-phenylurea
• CAS: 3420-63-1
• 化学式: C₁₀H₁₃ClN₂O
• 分子量: 212.679
• InChiKey: YMHWWYTZENGFRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-氯丙基)-3-苯基脲 在 正丁基锂 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 24.0h， 生成 1-Phenyl-3-methyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
  参考文献：
  名称：

  Cyclic ureas as ortho directing substituents

  摘要：

  六成员环脲在通过氮原子与苯环和吡啶环连接时显示出弱的邻位定向能力。

  DOI：

  10.1039/b105420c
• 作为产物：
  描述：

  苯胺 、 4-氯丁酰氯 生成 1-(3-氯丙基)-3-苯基脲
  参考文献：
  名称：

  Braendstroem,A. et al., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1974, vol. 28, p. 699 - 701

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS<br/>[FR] 2-IMIDAZOLIDONES SUBSTITUES ET ANALOGUES
  申请人：UNIV LAVAL

  公开号：WO2011100840A1

  公开（公告）日：2011-08-25

  Compounds of formula (I): wherein R1, R2, R3, R4, R7, R6, R7, R8, R9, A, X and Y as defined herein are provided as useful for the treatment of cancer or for the manufacture of anti-cancer agents.

  式（I）的化合物：其中所述的R1、R2、R3、R4、R7、R6、R7、R8、R9、A、X和Y如本文所定义的那样，被提供为用于治疗癌症或用于制造抗癌药物。
• New Substituted 1-(2,3-Dihydrobenzo[1,4]dioxin-2-ylmethyl)piperidin-4-yl Derivatives with α₂-Adrenoceptor Antagonist Activity
  作者：Patrice Mayer、Pascale Brunel、Céline Chaplain、Christel Piedecoq、Francis Calmel、Philippe Schambel、Philippe Chopin、Thierry Wurch、Petrus J. Pauwels、Marc Marien、Jean-Louis Vidaluc、Thierry Imbert

  DOI：10.1021/jm991121g

  日期：2000.10.1

  The emergence of a novel theory concerning the role of noradrenaline in the progression and the treatment of neurodegenerative diseases such as Parkinson's and Alzheimer's diseases has provided a new impetus toward the discovery of novel compounds acting at alpha(2)-adrenoceptors. A series of substituted 1-(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl) piperidin-4-yl derivatives bearing an amide, urea, or imidazolidinone moiety was studied. Some members of this series of compounds proved to be potent alpha(2)-adrenoceptor antagonists with good selectivity versus alpha(1)-adrenergic and D(2)-dopamine receptors. Particular emphasis is given to compound 33g which displays potent alpha(2)-adrenoceptor binding affinity in vitro and central effects in vivo following oral administration.
• The Synthesis of Potential Anticancer Agents. XXXVI. N-Nitrosoureas.¹ II. Haloalkyl Derivatives
  作者：Thomas P. Johnston、George S. McCaleb、Pamela S. Opliger、John A. Montgomery

  DOI：10.1021/jm00324a026

  日期：1966.11
• Design, Synthesis, Biological Evaluation, and Structure–Activity Relationships of Substituted Phenyl 4-(2-Oxoimidazolidin-1-yl)benzenesulfonates as New Tubulin Inhibitors Mimicking Combretastatin A-4
  作者：Sébastien Fortin、Lianhu Wei、Emmanuel Moreau、Jacques Lacroix、Marie-France Côté、Éric Petitclerc、Lakshmi P. Kotra、René C.-Gaudreault

  DOI：10.1021/jm200488a

  日期：2011.7.14

  Sixty-one phenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonates (PIB-SOs) and 13 of their tetrahydro-2-oxopyrimidin-1(2H)-yl analogues (PPB-SOs) were prepared and biologically evaluated. The antiproliferative activities of PIB-SOs on 16 cancer cell lines are in the nanomolar range and unaffected in cancer cells resistant to colchicine, paclitaxel, and vinblastine or overexpressing the P-glycoprotein. None of the PPB-SOs exhibit significant antiproliferative activity. PIB-SOs block the cell cycle progression in the G(2)/M phase and bind to the colchicine-binding site on beta-tubulin leading to cytoskeleton disruption and cell death. Chick chorioallantoic membrane tumor assays show that compounds 36, 44, and 45 efficiently block angiogenesis and tumor growth at least at similar levels as combretastatin A-4 (CA-4) and exhibit low to very low toxicity on the chick embryos. PIB-SOs were subjected to CoMFA and CoMSIA analyses to establish quantitative structure-activity relationships.
• Siefken, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 75,1114
  作者：Siefken

  DOI：——

  日期：——

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