methyl 2-amino-3-oxobutanoate hydrochloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-amino-3-oxobutanoate hydrochloride
• 英文别名: methyl 2-amino-3-oxobutanoate;hydrochloride
• 化学式: C₅H₉NO₃*ClH
• 分子量: 167.592
• InChiKey: PGXUEXDOVYLHEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  69.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-amino-3-oxobutanoate hydrochloride 在 [Ru(R)-SYNPHOSBr2] 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 50.0 ℃ 、1.3 MPa 条件下， 反应 23.0h， 以91%的产率得到
  参考文献：
  名称：

  米拉巴林异构体全合成的进展

  摘要：

  通过使用基于不对称还原的灵活策略来控制带有羟基和氨基甲酸酯的立体中心，已经合成了细胞毒性海洋大环内酯 mirabalin 的关键片段。特别是，钌或铑介导的不对称氢化和转移氢化与动态动力学分辨率结合使用，以在单个步骤中控制两个连续的立体中心。

  DOI：

  10.24820/ark.5550190.p010.874
• 作为产物：
  描述：

  methyl (Z)-2-(hydroxyimino)-3-oxobutanoate 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 乙醚 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以77%的产率得到methyl 2-amino-3-oxobutanoate hydrochloride
  参考文献：
  名称：

  米拉巴林异构体全合成的进展

  摘要：

  通过使用基于不对称还原的灵活策略来控制带有羟基和氨基甲酸酯的立体中心，已经合成了细胞毒性海洋大环内酯 mirabalin 的关键片段。特别是，钌或铑介导的不对称氢化和转移氢化与动态动力学分辨率结合使用，以在单个步骤中控制两个连续的立体中心。

  DOI：

  10.24820/ark.5550190.p010.874

文献信息

• [EN] METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] MÉTHYLOXAZOLES ANTAGONISTES DU RÉCEPTEUR DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016089721A1

  公开（公告）日：2016-06-09

  The present invention is directed to methyl 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.

  本发明涉及甲基噁唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述化合物在潜在治疗或预防涉及促进睡眠的神经和精神疾病和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS OXAZOLE ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018029A1

  公开（公告）日：2015-02-12

  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 prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述氧唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。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预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE D'OXAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020930A1

  公开（公告）日：2015-02-12

  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 prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进素受体的拮抗剂。本发明还涉及所述氧唑化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。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预防或治疗涉及促进素受体的疾病中的用途。
• BICYCLIC PYRAZOLE DERIVATIVE
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1659123A1

  公开（公告）日：2006-05-24

  A compound represented by the following formula (I), a prodrug thereof, or a pharmaceutically acceptable salt of either. These are compounds having high DPP-IV inhibitory activity and improved in safety, nontoxicity, etc. (I) [In the formula, R1 represents hydrogen, optionally substituted alkyl, etc.; the solid line and dotted line between A1 and A2 indicate a double bond (A1=A2), etc.; A1 represents a group represented by the formula C(R2), etc.; A2 represents a group represented by the formula C(R4), etc.; R2 represents hydrogen, optionally substituted alkyl, etc.; R4 represents hydrogen, optionally substituted alkyl, etc.; R6 represents hydrogen, optionally substituted aryl, etc.; and -Y represents, e.g.; a group represented by the formula (A): (A) (wherein ml is 0, 1, 2, or 3; and R7 is absent, or one or two R7's are present and each independently represents optionally substituted alkyl, etc.).]

  以下式(I)表示的化合物、前药或药用可接受的盐。这些化合物具有高DPP-IV抑制活性，并且在安全性、非毒性等方面进行了改进。(I) [在公式中，R1代表氢，可选地取代烷基等；A1和A2之间的实线和虚线表示双键(A1=A2)等；A1代表由公式C(R2)等表示的基团；A2代表由公式C(R4)等表示的基团；R2代表氢，可选地取代烷基等；R4代表氢，可选地取代烷基等；R6代表氢，可选地取代芳基等；-Y代表例如；由公式(A)表示的基团：(A)(其中ml为0、1、2或3；R7缺失，或存在一个或两个R7，每个独立地代表可选地取代烷基等)。]
• [EN] THIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES THIAZOLES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018027A1

  公开（公告）日：2015-02-12

  The present invention is directed to thiazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the thiazole 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 prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及噻唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述噻唑化合物在潜在治疗或预防涉及促进睡眠受体的神经和精神障碍和疾病中的用途。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预防或治疗涉及促进睡眠受体的疾病中的用途。