N'-[(1S)-1-phenylethyl]propane-1,3-diamine | 70637-24-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N'-[(1S)-1-phenylethyl]propane-1,3-diamine
• CAS: 70637-24-0
• 化学式: C₁₁H₁₈N₂
• 分子量: 178.277
• InChiKey: NQONXAAXIFYYMX-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S)-2-amino-3-[[(1S)-3-amino-1-[4-amino-6-[[(1R,2S)-1-[(2R,3S,4S,5S,6S)-3-[(2S,3S,4R,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-oxopropyl]amino]propanoic acid 、 N'-[(1S)-1-phenylethyl]propane-1,3-diamine 生成 [(2S,3S,4R,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-3-oxo-3-[3-[[(1S)-1-phenylethyl]amino]propylamino]propyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
  参考文献：
  名称：

  UMEZAWA, HAMAO;FUJII, AKIO;MURAOKA, YASUHIKO;NAKATANI, TOKUJI;FUKUOKA, TA+

  摘要：

  DOI：

文献信息

• Discovery and Structural Modification of 1-Phenyl-3-(1-phenylethyl)urea Derivatives as Inhibitors of Complement
  作者：Mei Zhang、Xiao-Ying Yang、Wei Tang、Tom W. L. Groeneveld、Pei-Lan He、Feng-Hua Zhu、Jia Li、Wei Lu、Anna M. Blom、Jian-Ping Zuo、Fa-Jun Nan

  DOI：10.1021/ml300005w

  日期：2012.4.12

  A series of 1-phenyl-3-(1-phenylethyl)urea derivatives were identified as novel and potent complement inhibitors through structural modification of the original compound from high-throughput screening. Various analogues (7 and 13-15) were synthesized and identified as complement inhibitors, with the introduction of a five- or six-carbon chain (7c, 7d, 7k, 7I, and 7o) greatly improving their activity. Optimized compound 7I has an excellent inhibition activity with IC50 values as low as 13 nM. We demonstrated that the compound 7I inhibited C9 deposition through the classical, the lectin, and the alternative pathways but had no influence on C3 and C4 depositions.
• UMEZAWA, HAMAO;FUJII, AKIO;MURAOKA, YASUHIKO;NAKATANI, TOKUJI;FUKUOKA, TA+
  作者：UMEZAWA, HAMAO、FUJII, AKIO、MURAOKA, YASUHIKO、NAKATANI, TOKUJI、FUKUOKA, TA+

  DOI：——

  日期：——
• JPS05441387A
  申请人：——

  公开号：JPS05441387A

  公开（公告）日：1979-04-02
• JPS5463089A
  申请人：——

  公开号：JPS5463089A

  公开（公告）日：1979-05-21
• JPS5441387A
  申请人：——

  公开号：JPS5441387A

  公开（公告）日：1979-04-02