5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-4-(5-(diethylamino)-1,2,4-oxadiazol-3-yl)-N-ethylisoxazole-3-carboxamide | 1330739-37-1

• 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: 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-4-(5-(diethylamino)-1,2,4-oxadiazol-3-yl)-N-ethylisoxazole-3-carboxamide
• 英文别名: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(diethylamino)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide
• CAS: 1330739-37-1
• 化学式: C₃₅H₃₉N₅O₅
• 分子量: 609.725
• InChiKey: ZRCNPXIWAOOEON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-(5-(trichloromethyl)-1,2,4-oxadiazol-3-yl)isoxazole-3-carboxamide 、 二乙胺 以to afford the intermediate compound 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-4-(5-(diethylamino)-1,2,4-oxadiazol-3-yl)-N-ethylisoxazole-3-carboxamide (10 mg, 0.02 mmol) in a yield of 16%的产率得到5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-4-(5-(diethylamino)-1,2,4-oxadiazol-3-yl)-N-ethylisoxazole-3-carboxamide
  参考文献：
  名称：

  5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF

  摘要：

  本发明涉及一种新型的5-成员杂环衍生物，其化学式为I，其互变异构体，药学上可接受的盐，前药及其制药用途。化合物I的5-成员杂环衍生物，其互变异构体，药学上可接受的盐，前药及其组合物，用于治疗肿瘤。

  公开号：

  US20120309750A1

文献信息

• A NOVEL 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF
  申请人：Il-Dong Pharm. Co., Ltd.

  公开号：EP2536714A2

  公开（公告）日：2012-12-26
• [EN] A NOVEL 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS HÉTÉROCYCLIQUES À 5 CHAÎNONS ET LEUR PROCÉDÉ DE FABRICATION
  申请人：ILDONG PHARM CO LTD

  公开号：WO2011102660A2

  公开（公告）日：2011-08-25

  Disclosed herein are a novel 5-membered heterocycle derivatives represented by Formula I, a tautomer, pharmaceutically approved salts thereof, prodrug of this compound, or pharmaceutically use. Accordingly this prevent invention, a novel 5-membered heterocycle derivatives, a tautomer, pharmaceutically approved salt, or prodrug show antitumoral activity. Thus, this compounds are useful in the treatment of tumor.