(S)-3-{3-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureidomethyl}-piperidine-1-carboxylic Acid Tert-butyl Ester | 676622-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-3-{3-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureidomethyl}-piperidine-1-carboxylic Acid Tert-butyl Ester
• 英文别名: tert-butyl (3S)-3-[[[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]methyl]piperidine-1-carboxylate
• CAS: 676622-21-2
• 化学式: C₂₂H₃₃N₇O₃
• 分子量: 443.549
• InChiKey: UGXZPKZPLUHMKW-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-3-{3-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureidomethyl}-piperidine-1-carboxylic Acid Tert-butyl Ester 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以100%的产率得到1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-(R)-1-piperidin-3-ylmethyl-urea
  参考文献：
  名称：

  N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists

  摘要：

  The synthesis and structure-activity relationships of N-arylalkylpiperidylmethyl ureas as antagonists of the CC chemokine receptor-3 (CCR3) are presented. These compounds displayed potent binding to the receptor as well as functional antagonism of eotaxin-elicited effects on eosinophils. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.006
• 作为产物：
  描述：

  (S)-1-Boc-3-氨甲基哌啶 、 phenyl 3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenylcarbamate 在 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 21.0h， 以78%的产率得到(S)-3-{3-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureidomethyl}-piperidine-1-carboxylic Acid Tert-butyl Ester
  参考文献：
  名称：

  N-substituted heterocyclic amines as modulators of chemokine receptor activity

  摘要：

  本申请描述了化学式(I)的趋化因子受体调节剂或其药用盐形式，可用于预防哮喘和其他过敏性疾病。

  公开号：

  US20040067935A1

文献信息

• N-substituted heterocyclic amines as modulators of chemokine receptor activity
  申请人：——

  公开号：US20040067935A1

  公开（公告）日：2004-04-08

  The present application describes modulators of chemokine receptors of formula (I): 1 or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma and other allergic diseases.

  本申请描述了化学式(I)的趋化因子受体调节剂或其药用盐形式，可用于预防哮喘和其他过敏性疾病。
• US6919356B2
  申请人：——

  公开号：US6919356B2

  公开（公告）日：2005-07-19
• [EN] N-SUBSTITUTED HETEROCYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] AMINES HETEROCYCLIQUES N-SUBSTITUEES, UTILISEES COMME MODULATEURS DE L'ACTIVITE DES RECEPTEURS DES CHIMIOKINES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004028530A1

  公开（公告）日：2004-04-08

  The present application describes modulators of chemokine receptors of formula (I):[CHEMICAL STRUCTURE]or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma and other allergic diseases.
• N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists
  作者：Douglas G. Batt、Gregory C. Houghton、John Roderick、Joseph B. Santella、Dean A. Wacker、Patricia K. Welch、Yevgeniya I. Orlovsky、Eric A. Wadman、James M. Trzaskos、Paul Davies、Carl P. Decicco、Percy H. Carter

  DOI：10.1016/j.bmcl.2004.11.006

  日期：2005.2

  The synthesis and structure-activity relationships of N-arylalkylpiperidylmethyl ureas as antagonists of the CC chemokine receptor-3 (CCR3) are presented. These compounds displayed potent binding to the receptor as well as functional antagonism of eotaxin-elicited effects on eosinophils. (C) 2004 Elsevier Ltd. All rights reserved.