(1-Benzyl-piperidin-4-yl)-pyridin-4-yl-amine | 202859-20-9

• 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: (1-Benzyl-piperidin-4-yl)-pyridin-4-yl-amine
• 英文别名: N-(1-benzylpiperidin-4-yl)pyridin-4-amine
• CAS: 202859-20-9
• 化学式: C₁₇H₂₁N₃
• 分子量: 267.374
• InChiKey: WHNPMAOUJSIXHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-Benzyl-piperidin-4-yl)-pyridin-4-yl-amine 在 palladium on activated charcoal 氢气 作用下， 以 甲苯 为溶剂， 生成 N-(pyridin-4-yl)-N-(piperidin-4-yl)propionamide
  参考文献：
  名称：

  Pharmacological profile of a novel series of NK1 antagonists. In vitro and in vivo potency of benzimidazolone derivatives

  摘要：

  By low throughput examination of our chemical library, compound 7 was selected as a lead NK, antagonist with a K-i of 7.1 nM. Modifications of its structure led to the finding that the in vitro potency could be markedly enhanced by disubstituting the anilino phenyl ring as in compounds 13 or 22. Human binding data correlated rather well with results obtained with in vitro animal mice; compound 13 was the most active with ED50 of 0.001 and 0.3 mg/kg after iv and po administration respectively. Furthermore, antagonist 71 was found to be a potent inhibitor of SP-induced bronchoconstriction in guinea-pigs with an ED50 between 0.1 and 0.03 mg/kg iv. Furthermore, upon oral administration, 71 was observed to be active in a model of SP-induced bronchial hypersensitivity in mice, with an ID50 of around 3 mg/kg.

  DOI：

  10.1016/s0223-5234(97)82771-7
• 作为产物：
  描述：

  4-氨基吡啶 、 N-苄基哌啶酮 在 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 生成 (1-Benzyl-piperidin-4-yl)-pyridin-4-yl-amine
  参考文献：
  名称：

  Pharmacological profile of a novel series of NK1 antagonists. In vitro and in vivo potency of benzimidazolone derivatives

  摘要：

  By low throughput examination of our chemical library, compound 7 was selected as a lead NK, antagonist with a K-i of 7.1 nM. Modifications of its structure led to the finding that the in vitro potency could be markedly enhanced by disubstituting the anilino phenyl ring as in compounds 13 or 22. Human binding data correlated rather well with results obtained with in vitro animal mice; compound 13 was the most active with ED50 of 0.001 and 0.3 mg/kg after iv and po administration respectively. Furthermore, antagonist 71 was found to be a potent inhibitor of SP-induced bronchoconstriction in guinea-pigs with an ED50 between 0.1 and 0.03 mg/kg iv. Furthermore, upon oral administration, 71 was observed to be active in a model of SP-induced bronchial hypersensitivity in mice, with an ID50 of around 3 mg/kg.

  DOI：

  10.1016/s0223-5234(97)82771-7

文献信息

• Serine protease inhibitors
  申请人：——

  公开号：US20040242656A1

  公开（公告）日：2004-12-02

  Compounds of formula (I) 1 in which R 2 , X, Y, Cy, L and Lp(D) n have the meanings given in the specification, are inhibitors of the serine protease, Factor Xa and are useful in the treatment of cardiovascular disorders.

  公式（I）1的化合物中，其中R2，X，Y，Cy，L和Lp（D）n具有规范中给出的含义，是丝氨酸蛋白酶Xa的抑制剂，可用于治疗心血管疾病。
• SERINE PROTEASE INHIBITORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1289950A1

  公开（公告）日：2003-03-12
• US6878725B2
  申请人：——

  公开号：US6878725B2

  公开（公告）日：2005-04-12
• [EN] SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASE A SERINE
  申请人：LILLY CO ELI

  公开号：WO2001096296A1

  公开（公告）日：2001-12-20

  Compounds of formula (I) in which R2, X, Y, Cy, L and Lp(D)n have the meanings given in the specification, are inhibitors of the serine protease, Factor Xa and are useful in the treatment of cardiovascular disorders.
• Pharmacological profile of a novel series of NK1 antagonists. In vitro and in vivo potency of benzimidazolone derivatives
  作者：G Rémond、B Portevin、J Bonnet、E Canet、D Regoli、G De Nanteuil

  DOI：10.1016/s0223-5234(97)82771-7

  日期：1997.11

  By low throughput examination of our chemical library, compound 7 was selected as a lead NK, antagonist with a K-i of 7.1 nM. Modifications of its structure led to the finding that the in vitro potency could be markedly enhanced by disubstituting the anilino phenyl ring as in compounds 13 or 22. Human binding data correlated rather well with results obtained with in vitro animal mice; compound 13 was the most active with ED50 of 0.001 and 0.3 mg/kg after iv and po administration respectively. Furthermore, antagonist 71 was found to be a potent inhibitor of SP-induced bronchoconstriction in guinea-pigs with an ED50 between 0.1 and 0.03 mg/kg iv. Furthermore, upon oral administration, 71 was observed to be active in a model of SP-induced bronchial hypersensitivity in mice, with an ID50 of around 3 mg/kg.