(R)-N-((R)-2,3-dihydro-1H-inden-1-yl)-2-(2,2-diphenylacetamido)-5-(3-nitroguanidino)pentanamide | 218793-70-5

• 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: (R)-N-((R)-2,3-dihydro-1H-inden-1-yl)-2-(2,2-diphenylacetamido)-5-(3-nitroguanidino)pentanamide
• CAS: 218793-70-5
• 化学式: C₂₉H₃₂N₆O₄
• 分子量: 528.611
• InChiKey: YJNBZTKDBZEKAK-JWQCQUIFSA-N

物化性质

• 密度：
  1.321±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  39.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  149.25
• 氢给体数：
  5.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-N-((R)-2,3-dihydro-1H-inden-1-yl)-2-(2,2-diphenylacetamido)-5-(3-nitroguanidino)pentanamide 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 20.0 ℃ 、500.0 kPa 条件下， 生成 (2R)-5-(diaminomethylideneamino)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(2,2-diphenylacetyl)amino]pentanamide
  参考文献：
  名称：

  Structure–activity relationships of neuropeptide Y Y1 receptor antagonists related to BIBP 3226

  摘要：

  Analogues of BIBP 3226, (R)-N-alpha-diphenylacetyl-N-(4-hydroxybenzyl)argininamide, were synthesized and investigated for Y-1 antagonism (Ca2+-assay, HEL cells) and binding on Y-1, Y-2 and Y-5 receptors. Replacing the benzylamino by a tetrahydrobenzazepinyl group preserves most of the Y-1 activity. Combination with a N-G-phenylpropyl arginine and a N-alpha-p-biphenyly-lacetyl moiety shifted the NPY receptor selectivity towards Y-5 (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00292-4
• 作为产物：
  描述：

  在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-N-((R)-2,3-dihydro-1H-inden-1-yl)-2-(2,2-diphenylacetamido)-5-(3-nitroguanidino)pentanamide
  参考文献：
  名称：

  Structure–activity relationships of neuropeptide Y Y1 receptor antagonists related to BIBP 3226

  摘要：

  Analogues of BIBP 3226, (R)-N-alpha-diphenylacetyl-N-(4-hydroxybenzyl)argininamide, were synthesized and investigated for Y-1 antagonism (Ca2+-assay, HEL cells) and binding on Y-1, Y-2 and Y-5 receptors. Replacing the benzylamino by a tetrahydrobenzazepinyl group preserves most of the Y-1 activity. Combination with a N-G-phenylpropyl arginine and a N-alpha-p-biphenyly-lacetyl moiety shifted the NPY receptor selectivity towards Y-5 (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00292-4