(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-nitrocarbamimidoyl)amino]pentanamide | 159013-59-9

• 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: (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-nitrocarbamimidoyl)amino]pentanamide
• CAS: 159013-59-9
• 化学式: C₂₇H₃₀N₆O₅
• 分子量: 518.572
• InChiKey: BAQDTMGYQABKOE-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  175
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-nitrocarbamimidoyl)amino]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 (R)-N(2)-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]argininamide
  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：

  BOC-D-硝基精氨酸 在 N,N-二异丙基乙胺 、 N,N'-羰基二咪唑 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]-5-[(N'-nitrocarbamimidoyl)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

文献信息

• AMINOSÄUREDERIVATE, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：Boehringer Ingelheim Pharma KG

  公开号：EP0680469B1

  公开（公告）日：2000-04-26