(R)-benzyl (1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate | 1422129-73-4

• 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: (R)-benzyl (1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate
• 英文别名: (R)-benzyl[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate；benzyl N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
• CAS: 1422129-73-4
• 化学式: C₁₃H₁₈N₂O₄
• 分子量: 266.297
• InChiKey: GIAQZYNFLPVOCP-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-benzyl (1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 7.0h， 以637 mg的产率得到(R)-2-二甲氨基-3-羟基丙酰胺
  参考文献：
  名称：

  [EN] NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  [FR] COMPOSÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE

  摘要：

  本发明提供了一种新型的化合物，作为一种ERR-α调节剂具有优越的活性，并可作为预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由公式(1)表示的化合物，其中每个符号如说明书中所定义，或其盐。

  公开号：

  WO2013018929A1
• 作为产物：
  描述：

  N-Z-D-丝氨酸甲酯 、 二甲胺 在 三甲基铝 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 16.17h， 以69%的产率得到(R)-benzyl (1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate
  参考文献：
  名称：

  Discovery of Novel DNA Gyrase Inhibiting Spiropyrimidinetriones: Benzisoxazole Fusion with N-Linked Oxazolidinone Substituents Leading to a Clinical Candidate (ETX0914)

  摘要：

  A novel class of bacterial type-II topoisomerase inhibitor displaying a spiropyrimidinetrione architecture fused to a benzisoxazole scaffold shows potent activity against Grampositive and fastidious Gram-negative bacteria. Here, we describe a series of N-linked oxazolidinone substituents on the benzisoxazole that improve upon the antibacterial activity of initially described compounds of the class, show favorable PK properties, and demonstrate efficacy in an in vivo Staphylococcus aureus infection model. Inhibition of the topoisomerases DNA gyrase and topoisomerase IV from both Gram-positive and a Gram-negative organisms was demonstrated. Compounds showed a clean in vitro toxicity profile, including no genotoxicity and no bone marrow toxicity at the highest evaluated concentrations or other issues that have been problematic for some fluoroquinolones. Compound lu was identified for advancement into human clinical trials for treatment of uncomplicated gonorrhea based on a variety of beneficial attributes including the potent activity and the favorable safety profile.

  DOI：

  10.1021/acs.jmedchem.5b00863

文献信息

• Nitrogen-containing heterocyclic compound
  申请人：Matsumoto Shigemitsu

  公开号：US08772277B2

  公开（公告）日：2014-07-08

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型化合物，具有卓越的ERR-α调节剂活性，并可用作预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由式子所表示的化合物，其中每个符号如规范中所定义，或其盐。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  申请人：MATSUMOTO Shigemitsu

  公开号：US20130072467A1

  公开（公告）日：2013-03-21

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型化合物，作为ERR-α调节剂具有卓越的活性，可用作预防或治疗ERR-α相关疾病的药剂。本发明涉及一种由式所表示的化合物，其中每个符号如规范中所定义，或其盐。