1,3-二-(5-甲氧羰基戊基)脲 | 6621-60-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1,3-二-(5-甲氧羰基戊基)脲
• 英文名称: N,N'-bis(5-methoxycarbonylpent-1-yl)urea
• 英文别名: 6,6'-ureylene-di-hexanoic acid dimethyl ester；N,N'-Bis-(5-methoxycarbonyl-pentyl)-harnstoff；6,6'-Ureylen-di-hexansaeure-dimethylester；6,6'-(carbonyldiimino)bis-hexanoic acid, dimethyl ester；1,3-bis(5-carbomethoxy-pentyl)-urea；N,N'-Bis-<5-methoxycarbonyl-pentyl>-harnstoff；Methyl 6-{[(6-methoxy-6-oxohexyl)carbamoyl]amino}hexanoate；methyl 6-[(6-methoxy-6-oxohexyl)carbamoylamino]hexanoate
• CAS: 6621-60-9
• 化学式: C₁₅H₂₈N₂O₅
• 分子量: 316.398
• InChiKey: FJBAZZHIYLSVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  1,3-二-(5-甲氧羰基戊基)脲 在 甲醇 、 potassium nitrite 、 sodium methylate 、 溶剂黄146 作用下， 生成 6,6'-nitrosoureylene-di-hexanoic acid bis-butylamide
  参考文献：
  名称：

  Amino Acids. IX.¹ 1,3-Di(ι-carbamylalkyl)-ureas and -thioureas and Their Chemistry

  摘要：

  DOI：

  10.1021/jo01106a045
• 作为产物：
  描述：

  methyl 6-isocyanatohexanoate 以 水 、 丙酮 为溶剂， 生成 1,3-二-(5-甲氧羰基戊基)脲
  参考文献：
  名称：

  Formation and Properties of Isocyanates Derived from Amino Ester Hydrochlorides

  摘要：

  DOI：

  10.1021/jo01351a088

文献信息

• Amino Acids. V. 1,3-Di-(ι-carboxyalkyl)-thioureas and Their Chemistry
  作者：A. F. McKay、E. J. Tarlton、S. I. Petri、P. R. Steyermark、M. A. Mosley

  DOI：10.1021/ja01539a058

  日期：1958.3
• Novel symmetrical ureas as modulators of protein arginine methyl transferases
  作者：Noelia Fontán、Patricia García-Domínguez、Rosana Álvarez、Ángel R. de Lera

  DOI：10.1016/j.bmc.2013.01.017

  日期：2013.4

  Methylation of histone arginine residues is an epigenetic mark related to gene expression that is implicated in a variety of biological processes and can be reversed by small-molecule modulators of protein arginine methyltransferases (PRMTs). A series of symmetrical ureas, designed as analogues of the known PRMT1 inhibitor AMI-1 have been synthesized using Pd-catalyzed Ar-N amide bond formation processes or carbonylation reactions as key steps. Their inhibitory profile has been characterized. The enzymatic assays showed a weak effect on PRMT1 and PRMT5 activity for most of the compounds. The acyclic urea that exhibited the strongest effect on the inhibition of the PRMT1 activity also showed the greatest effect on the expression of some androgen receptor target genes (TMPRSS2 and FKBP5), which may be related with its enzymatic activity. Surprisingly, AMI-1 behaved as an activator of PRMT5 activity, a result not reported so far. (C) 2013 Elsevier Ltd. All rights reserved.
• Formation and Properties of Isocyanates Derived from Amino Ester Hydrochlorides
  作者：W. J. HUMPHLETT、C. V. WILSON

  DOI：10.1021/jo01351a088

  日期：1961.7
• Amino Acids. IX.¹ 1,3-Di(ι-carbamylalkyl)-ureas and -thioureas and Their Chemistry
  作者：E. J. TARLTON、S. GELBLUM、M. A. MOSLEY、A. F. McKAY

  DOI：10.1021/jo01106a045

  日期：1958.12

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