2-(3-Benzyl-ureido)-oxazole-5-carboxylic acid ethyl ester | 304696-11-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-Benzyl-ureido)-oxazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-(benzylcarbamoylamino)-1,3-oxazole-5-carboxylate
• CAS: 304696-11-5
• 化学式: C₁₄H₁₅N₃O₄
• 分子量: 289.291
• InChiKey: NZWGCFLAGUIPBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  93.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-Benzyl-ureido)-oxazole-5-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-(2-{[2-(3-benzyl-ureido)-oxazole-5-carbonyl]-amino}-acetylamino)-3-(3,5-dichloro-phenyl)-propionic acid
  参考文献：
  名称：

  Synthesis of highly potent and selective hetaryl ureas as integrin αVβ3-Receptor antagonists

  摘要：

  Solid-phase synthesis and SAR of integrin alpha(v)beta(3)-receptor antagonists containing a urea moiety as non-basic guanidine mimetic are described. The most potent compounds exhibited IC50 values towards alpha(v)beta(3) in the nanomolar range and high selectivity versus related integrins like alpha(11b)beta(3). For selected examples efficacy in functional cellular assays is demonstrated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00161-0
• 作为产物：
  描述：

  (氯甲酰基)乙酸乙酯 以 水 为溶剂， 生成 2-(3-Benzyl-ureido)-oxazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of highly potent and selective hetaryl ureas as integrin αVβ3-Receptor antagonists

  摘要：

  Solid-phase synthesis and SAR of integrin alpha(v)beta(3)-receptor antagonists containing a urea moiety as non-basic guanidine mimetic are described. The most potent compounds exhibited IC50 values towards alpha(v)beta(3) in the nanomolar range and high selectivity versus related integrins like alpha(11b)beta(3). For selected examples efficacy in functional cellular assays is demonstrated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00161-0