benzyl 3-amino-1(S)-(1-piperidinylcarbonyl)propylcarbamate | 620947-70-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl 3-amino-1(S)-(1-piperidinylcarbonyl)propylcarbamate
• 英文别名: benzyl N-[(2S)-4-amino-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
• CAS: 620947-70-8
• 化学式: C₁₇H₂₅N₃O₃
• 分子量: 319.404
• InChiKey: HYBVOXQCBQTKFO-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl 3-amino-1(S)-(1-piperidinylcarbonyl)propylcarbamate 在 N-甲基吗啉 、 氢溴酸 、 溶剂黄146 作用下， 反应 21.0h， 生成
  参考文献：
  名称：

  DERIVATIVES OF 4-AMINO-PYRIDINE AS SELECTIVE THROMBIN INHIBITORS

  摘要：

  During screening for novel thrombin inhibitors it was discovered that the il-aminopyridine derivative 1 inhibits human alpha-thrombin competitively and selectively. The 4-aminopyridine moiety itself is most likely the major determinant of the selectivity due to the increased hydrophobicity of the S1 pocket in thrombin compared to trypsin and plasmin. Optimization led to the selective thrombin inhibitor 14 with an inhibition constant, Ki of 70 nM. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00210-2
• 作为产物：
  描述：

  在 [双(三氟乙酰氧基)碘]苯 作用下， 反应 16.0h， 生成 benzyl 3-amino-1(S)-(1-piperidinylcarbonyl)propylcarbamate
  参考文献：
  名称：

  DERIVATIVES OF 4-AMINO-PYRIDINE AS SELECTIVE THROMBIN INHIBITORS

  摘要：

  During screening for novel thrombin inhibitors it was discovered that the il-aminopyridine derivative 1 inhibits human alpha-thrombin competitively and selectively. The 4-aminopyridine moiety itself is most likely the major determinant of the selectivity due to the increased hydrophobicity of the S1 pocket in thrombin compared to trypsin and plasmin. Optimization led to the selective thrombin inhibitor 14 with an inhibition constant, Ki of 70 nM. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00210-2

文献信息

• [EN] DIPEPTIDYL PEPTIDASE INHIBITORS<br/>[FR] INHIBITEURS DE DIPEPTIDYLE PEPTIDASE
  申请人：AIC

  公开号：WO2004076433A1

  公开（公告）日：2004-09-10

  The present invention relates to novel inhibitors of serine type peptidases in general and of serine type dipeptidyl peptidases in particular. The present invention further relates to the use of the dipeptidyl peptidase inhibitors for selective inhibition of dipeptidyl peptidases. The present invention also relates to pharmaceutical compositions comprising these novel dipeptidyl peptidase inhibitors. The present invention further relates to the use of the novel inhibitors in therapy, diagnosis and research.

  本发明涉及一般性的新型丝氨酸型肽酶抑制剂，特别是丝氨酸型二肽基肽酶的抑制剂。本发明还涉及利用二肽基肽酶抑制剂对二肽基肽酶进行选择性抑制。本发明还涉及包含这些新型二肽基肽酶抑制剂的药物组合物。本发明还涉及在治疗、诊断和研究中使用这些新型抑制剂。
• [EN] DIPEPTIDYL PEPTIDASE INHIBITORS<br/>[FR] INHIBITEURS DE DIPEPTIDYL PEPTIDASES
  申请人：AIC

  公开号：WO2004076434A1

  公开（公告）日：2004-09-10

  The present invention relates to novel inhibitors of serine type peptidases in general and of serine type dipeptidyl peptidases in particular. The present invention further relates to the use of the dipeptidyl peptidase inhibitors for selective inhibition of dipeptidyl peptidases. The present invention also relates to pharmaceutical compositions comprising these novel dipeptidyl peptidase inhibitors. The present invention further relates to the use of the novel inhibitors in therapy, diagnosis and research.
• DERIVATIVES OF 4-AMINO-PYRIDINE AS SELECTIVE THROMBIN INHIBITORS
  作者：Wolfgang von der Saal、Ralf Kucznierz、Herbert Leinert、Richard A. Engh

  DOI：10.1016/s0960-894x(97)00210-2

  日期：1997.5

  During screening for novel thrombin inhibitors it was discovered that the il-aminopyridine derivative 1 inhibits human alpha-thrombin competitively and selectively. The 4-aminopyridine moiety itself is most likely the major determinant of the selectivity due to the increased hydrophobicity of the S1 pocket in thrombin compared to trypsin and plasmin. Optimization led to the selective thrombin inhibitor 14 with an inhibition constant, Ki of 70 nM. (C) 1997 Elsevier Science Ltd.