1-吗啉-4-基-3-苯基脲 | 13262-39-0

• 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-吗啉-4-基-3-苯基脲
• 英文名称: 1-phenyl-3-morpholinourea
• 英文别名: 1-morpholino-3-phenylurea；1-morpholin-4-yl-3-phenylurea
• CAS: 13262-39-0
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: GAKBCNPCKPLLQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基吗啉 、 异氰酸苯酯 以 二氯甲烷 为溶剂， 以79%的产率得到1-吗啉-4-基-3-苯基脲
  参考文献：
  名称：

  α-酮硫酰胺作为磷酸甘油酸脱氢酶（PHGDH）抑制剂的结构-活性关系（SAR）。

  摘要：

  多年来，靶向癌细胞代谢中的失调已成为开发更具体和有效的癌症治疗方法的有希望的战略。最近，许多报道强调了丝氨酸合成途径，特别是磷酸甘油酸脱氢酶（PHGDH）（该途径的第一种酶）在维持癌症进展中的关键作用。但是，由于通常在基于细胞的环境中效能很弱，因此迄今为止报道的抑制剂未能为这种方法的潜力奠定基础。在本文中，我们报告了我们最近鉴定出的一系列α-酮硫代酰胺的构效关系研究。有趣的是，该研究导致对该系列中的结构-活性关系（SAR）有了更深入的了解，并鉴定了新的PHGDH抑制剂。通过细胞热位移测定和基于细胞的实验证实了更有效的化合物的活性。我们希望这项研究最终将基于这种有前途的化学支架，为开发靶向PHGDH的治疗药物提供新的切入点。

  DOI：

  10.3390/ph13020020

文献信息

• Formation of Complex Hydrazine Derivatives via Aza-Lossen Rearrangement
  作者：Dilan E. Polat、David D. Brzezinski、André M. Beauchemin

  DOI：10.1021/acs.orglett.9b01742

  日期：2019.6.21

  The development of a broadly applicable procedure for the aza-Lossen rearrangement is reported. This process converts amines into complex hydrazine derivatives in two steps under safe, mild conditions. This method allows the chemoselective formation of N–N bonds, resulting in the synthesis of cyclic and acyclic products while avoiding side reactions of the amphoteric (ambident) nitrogen-substituted

  据报道开发了可广泛用于氮杂-洛森重排的程序。此过程可在安全，温和的条件下分两步将胺转化为复杂的肼衍生物。该方法允许化学选择性地形成N–N键，从而合成环状和非环状产物，同时避免了两性（环境性）氮取代的异氰酸酯中间体的副反应。
• [EN] SERINE BIOSYNTHETIC PATHWAY INHIBITORS<br/>[FR] INHIBITEURS DE LA VOIE DE BIOSYNTHÈSE DE LA SÉRINE
  申请人：UNIV CATHOLIQUE LOUVAIN

  公开号：WO2017157882A1

  公开（公告）日：2017-09-21

  The present invention relates to a compound of formula (I), a stereoisomer thereof, an enantiomer thereof, a racemic thereof, or a tautomer thereof as defined in claim 1 (I) the present invention also relates to a compound of formula (I), a stereoisomer thereof, an 5 enantiomer thereof, a racemic thereof, or a tautomer thereof, as defined in the claims for use as a medicament, in particular for use in the prevention or treatment of a cellular proliferative disease.

  本发明涉及公式(I)的化合物，其立体异构体，对映异构体，消旋体或互变异构体，如权利要求1中定义的(I)。本发明还涉及公式(I)的化合物，其立体异构体，对映异构体，消旋体或互变异构体，如权利要求中定义的用作药物，特别是用于预防或治疗细胞增殖性疾病。
• Pharmaceutical compositions and methods for metabolic modulation
  申请人：Mijikovic Dusan

  公开号：US20070161582A1

  公开（公告）日：2007-07-12

  Pharmaceutical compositions include compounds with cytokinin activity to modulate glucose and/or lipid metabolism in a mammal. Especially preferred compounds include those comprising a purine scaffold, and it is further preferred that contemplated compositions are employed to prevent and/or treat various diseases, including pre-diabetes, insulin resistance, type-2 diabetes, Syndrome X, and dyslipidemia In still further preferred aspects, compounds with cytokinin activity are used to activate AMPK and/or Akt. Consequently, various diseases associated with dysregulation of AMPK and/or Akt may be treated using the compounds of the present inventive subject matter.
• Alimentary compositions and methods for metabolic modulation
  申请人：Miljkovic Dusan

  公开号：US20070184067A1

  公开（公告）日：2007-08-09

  Contemplated food products include compounds with cytokinin activity to modulate glucose and/or lipid metabolism, and in especially preferred aspects contemplated food products include one or more naturally occurring cytokinins (e.g., kinetin, N2-acetylguanine, zeatin, dihydrozeatin) at a concentration effective to prevent or treat pre-diabetes, insulin resistance, type-2 diabetes, syndrome X, and/or dyslipidemia. Methods of marketing such products are also contemplated.
• PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION
  申请人：Miljkovic Dusan

  公开号：US20090203638A1

  公开（公告）日：2009-08-13

  Pharmaceutical compositions include compounds with cytokinin activity to modulate glucose and/or lipid metabolism in a mammal. Especially preferred compounds include those comprising a purine scaffold, and it is further preferred that contemplated compositions are employed to prevent and/or treat various diseases, including pre-diabetes, insulin resistance, type-2 diabetes, Syndrome X, and dyslipidemia. In still further preferred aspects, compounds with cytokinin activity are used to activate AMPK and/or Akt. Consequently, various diseases associated with dysregulation of AMPK and/or Akt may be treated using the compounds of the present inventive subject matter.