2-氨基-5-甲基-1,3-恶唑-4-羧酸乙酯 | 1065099-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氨基-5-甲基-1,3-恶唑-4-羧酸乙酯
• 中文别名: 2-氨基-5-甲基-恶唑-4-羧酸乙酯
• 英文名称: ethyl 2-amino-5-methyloxazole-4-carboxylate
• 英文别名: ethyl 2-amino-5-methyl-1,3-oxazole-4-carboxylate
• CAS: 1065099-78-6
• 化学式: C₇H₁₀N₂O₃
• mdl: MFCD11054142
• 分子量: 170.168
• InChiKey: PRYGPIHYNLRENF-UHFFFAOYSA-N

物化性质

• 沸点：
  288.4±32.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基-5-甲基-1,3-恶唑-4-羧酸乙酯 在 亚硝酸特丁酯 、 caesium carbonate 、 copper dichloride 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 生成 ethyl 2-(5-(2-(2H-1,2,3-triazol-2-yl)benzoyl)hexahydropyrrolo[3 ,4-c]pyrrol-2(1H)-yl)-5-methyloxazole-4-carboxylate
  参考文献：
  名称：

  [EN] 5,5-BICYCLIC OXAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES OXAZOLES 5,5-BICYCLIQUES DU RÉCEPTEUR D'OREXINE

  摘要：

  公开号：

  WO2016100162A3
• 作为产物：
  描述：

  2-丁酮酸乙酯 在 copper(ll) bromide 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 16.0h， 生成 2-氨基-5-甲基-1,3-恶唑-4-羧酸乙酯
  参考文献：
  名称：

  [EN] OXAZOLE TRPML1 AGONISTS AND USES THEREOF
  [FR] AGONISTES DE TRPML1 OXAZOLIQUE ET LEURS UTILISATIONS

  摘要：

  Described herein are oxazole TRPML1 inhibitors and pharmaceutical compositions comprising said inhibitors. The subject compounds and compositions are useful for the treatment of TRPML1-mediated disorders or diseases.

  公开号：

  WO2024011155A1

文献信息

• Oxazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10435398B2

  公开（公告）日：2019-10-08

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及奥曲肽受体拮抗剂噁唑化合物。本发明还涉及本文所述噁唑化合物在潜在治疗或预防涉及奥曲肽受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在潜在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• (2-Aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines as NHE-1 inhibitors
  作者：Sunkyung Lee、Kyu Yang Yi、Sung Jun Youn、Byung Ho Lee、Sung-eun Yoo

  DOI：10.1016/j.bmcl.2009.01.060

  日期：2009.3

  A series of (2-aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines were synthesized and evaluated as NHE-1 inhibitors. The structure-activity relationships well matched those of furan derivatives, which were previously investigated. The (2,5-disubstituted) phenyl compounds showed better activities than the other analogues in both imidazole and oxazole compounds. Especially, 2-(2,5-dichlorophenyl)imidazole 52, and 2-(2-methoxy-5-chlorophenyl) imidazole 54 compounds exhibited potent cardioprotective efficacy both in vitro and in vivo as well as high NHE-1 inhibitory activities. (C) 2009 Elsevier Ltd. All rights reserved.
• OXAZOLE OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK SCOTT D.

  公开号：US20170320865A1

  公开（公告）日：2017-11-09

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.
• 5,5-Bicyclic Oxazole Orexin Receptor Antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170368035A1

  公开（公告）日：2017-12-28

  The present invention is directed to 5,5-bicyclic oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.
• US9987255B2
  申请人：——

  公开号：US9987255B2

  公开（公告）日：2018-06-05