tert-butyl (S)-2-(4-(4-(4-trifluoromethylphenyl)phenethyloxy)phenylcarbamoyl)-1-hydroxypropan-2-ylcarbamate | 876915-52-5

• 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: tert-butyl (S)-2-(4-(4-(4-trifluoromethylphenyl)phenethyloxy)phenylcarbamoyl)-1-hydroxypropan-2-ylcarbamate
• CAS: 876915-52-5
• 化学式: C₃₀H₃₃F₃N₂O₅
• 分子量: 558.598
• InChiKey: GCKAVHMHKSAOPB-LJAQVGFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.21
• 重原子数：
  40.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96.89
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-2-(4-(4-(4-trifluoromethylphenyl)phenethyloxy)phenylcarbamoyl)-1-hydroxypropan-2-ylcarbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-N-(4-(4-(4-trifluoromethylphenyl)phenethyloxy)phenyl)-2-amino-3-hydroxy-2-methylpropanamide
  参考文献：
  名称：

  Synthesis and evaluation of arylalkoxy- and biarylalkoxy-phenylamide and phenylimidazoles as potent and selective sphingosine-1-phosphate receptor subtype-1 agonists

  摘要：

  In pursuit of potent and selective sphingosine-1-phosphate receptor agonists, we have utilized previously reported phenylamide and phenylimidazole scaffolds to explore extensive side-chain modi. cations to generate new molecular entities. A number of designed molecules demonstrate good selectivity and excellent in vitro and in vivo potency in both mouse and rat models. Oral administration of the lead molecule 11c (PPI-4667) demonstrated potent and dose-responsive lymphopenia. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.073

文献信息

• [EN] METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY<br/>[FR] PROCEDES ET COMPOSITIONS SERVANT A MODULER L'ACTIVITE DU RECEPTEUR DE LA SPHINGOSINE-1-PHOSPHATE (S1P)
  申请人：PRAECIS PHARM INC

  公开号：WO2006020951A1

  公开（公告）日：2006-02-23

  The present invention relates to compounds which modulate the activity of the SI P1 receptor, the use of these compounds for treating conditions associated with signaling through the S1 P1 receptor, and pharmaceutical compositions comprising these compounds.

  本发明涉及调节SI P1受体活性的化合物，以及利用这些化合物治疗与S1 P1受体信号传导相关的疾病的用途，以及包含这些化合物的药物组合物。