2-[[1-(phenylmethyl)-4-piperidinyl]amino]-benzamide | 473871-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[[1-(phenylmethyl)-4-piperidinyl]amino]-benzamide
• 英文别名: 2-[[1-(Phenylmethyl)-4-piperidinyl]amino]benzamide；2-[(1-benzylpiperidin-4-yl)amino]benzamide
• CAS: 473871-20-4
• 化学式: C₁₉H₂₃N₃O
• 分子量: 309.411
• InChiKey: WGRGVADLUUAMOS-UHFFFAOYSA-N

物化性质

• 沸点：
  495.5±45.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[[1-(phenylmethyl)-4-piperidinyl]amino]-benzamide 在 吡啶 、 lithium aluminium tetrahydride 、 磺酰胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-benzyl-4-(3,4-dihydro-2,2-dioxo-1H-2,1,3-benzothiadiazin-1-yl)piperidine
  参考文献：
  名称：

  1,3-Dihydro-2,1,3-benzothiadiazol-2,2-diones and 3,4-dihydro-1H-2,1,3-benzothidiazin-2,2-diones as ligands for the NOP receptor

  摘要：

  A series of 1,3-dihydro-2,1,3-benzothiadiazol-2,2-diones (1) and 3,4-dihydro-1H-2,1,3-benzothidiazin-2,2-diones (II) were prepared. While the five-member ring series (I) did not show good affinity for opioid receptors, the six-member ring series (II) exhibited extremely high affinity and selectivity for the NOP receptor and showed full agonist activity, as determined by stimulation of GTPgamma[S-35] binding. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.001
• 作为产物：
  描述：

  4-氨基-1-苄基哌啶 、 2-氟苯甲酰胺 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 2-[[1-(phenylmethyl)-4-piperidinyl]amino]-benzamide
  参考文献：
  名称：

  Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties

  摘要：

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.030

文献信息

• [EN] QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS<br/>[FR] DERIVES DE QUINAZOLINEDIONE UTILISES COMME INHIBITEURS DE PARP
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006003148A1

  公开（公告）日：2006-01-12

  The present invention provides compounds of formula (I), their use as PARP inhibitors as well as pharmaceutical compositions comprising said compounds of formula (I) wherein R', L', L2, X, Y and Z have defined meanings.

  本发明提供了式（I）的化合物，其作为PARP抑制剂的用途，以及包含所述式（I）的化合物的药物组合物，其中R'、L'、L2、X、Y和Z具有明确定义。
• Rapid access towards follow-up NOP receptor agonists using a knowledge based approach
  作者：Ronald Palin、John K. Clark、Louise Evans、Helen Feilden、Dan Fletcher、Niall M. Hamilton、Andrea K. Houghton、Philip S. Jones、Duncan McArthur、Brian Montgomery、Paul D. Ratcliffe、Alasdair R.C. Smith、Aaron Sutherland、Mark A. Weston、Grant Wishart

  DOI：10.1016/j.bmcl.2009.09.028

  日期：2009.11

  A knowledge based approach has been adopted to identify novel NOP receptor agonists with simplified hydrophobes. Substitution of the benzimidazol-2-one piperidine motif with a range of hydrophobic groups and pharmacophore guided bio-isosteric replacement of the benzimidazol-2-one moiety was explored. Compound 51 was found to be a high affinity, potent NOP receptor agonist with reduced affinity for the hERG channel. (C) 2009 Elsevier Ltd. All rights reserved.
• QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1763523A1

  公开（公告）日：2007-03-21
• Quinazolinedione Derivatives as Parp Inhibitors
  申请人：Kennis Josephine Ludo Edmond

  公开号：US20080039480A1

  公开（公告）日：2008-02-14

  The present invention provides compounds of formula (I), their use as PARP inhibitors as well as pharmaceutical compositions comprising said compounds of formula (I) wherein R 1 , L 1 , L 2 , X, Y and Z have defined meanings.
• NOCICEPTIN ANALOGS
  申请人：Goehring R. Richard

  公开号：US20090253727A1

  公开（公告）日：2009-10-08

  A compound of the having the general formula (I) or general formula (II): wherein Z, A, B, C, R 1 , R 2 , Q, W, and n are as described herein.