1-(tert-butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate | 194298-00-5

• 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: 1-(tert-butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate
• 英文别名: O1-tert-butyl O2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate；1-O-tert-butyl 2-O-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate
• CAS: 194298-00-5
• 化学式: C₁₂H₂₁NO₅
• 分子量: 259.302
• InChiKey: DSCVRGCAXJUTEM-BDAKNGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(tert-butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate 在 吡啶 、 氯化亚砜 、 草酰氯 、 盐酸羟胺 、 sodium ethanolate 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 7.75h， 生成 4,5,6,7-tetrahydro-3-hydroxyisoxazolo<4,5-b>pyridine-4-carboxylic acid 1,1-dimethylethyl ester
  参考文献：
  名称：

  Evaluation and synthesis of amino-hydroxy isoxazoles and pyrazoles as potential glycine agonists

  摘要：

  Except for structurally similar small amino acids, such as alanine, beta-alanine, and serine, compounds acting as glycine-receptor agonists are an unknown class of pharmacological agents. To investigate the potential of small, substituted heterocycles to act as glycine agonists, we have evaluated the similarities between glycine and a series of hydroxy- and amino-substituted pyrazoles and isoxazoles through complementary molecular modeling techniques. Using a "scorecard approach" to determine the overall similarity of projected agonist structures to glycine, we prioritized synthesis and subsequently prepared several novel derivatives. The biological activity of these compounds was compared to that of glycine by using a [3H]strychnine-mediated glycine receptor binding assay. Despite the close similarity in the calculated parameters when compared to glycine, no significant receptor-binding activity was observed for the targeted analogues. These results illustrate the structurally exacting nature of the glycine receptor.

  DOI：

  10.1021/jm00129a016
• 作为产物：
  描述：

  3-羟基-2-吡啶甲酸 在 Rh on carbon 盐酸 、 氢气 、 三乙胺 作用下， 以 ammonium hydroxide 、 N,N-二甲基甲酰胺 为溶剂， 60.0 ℃ 、344.73 kPa 条件下， 反应 38.0h， 生成 1-(tert-butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate
  参考文献：
  名称：

  轻松合成3取代的胡椒酸，嵌合氨基酸

  摘要：

  制备了三种受保护的3-取代的胡椒酸类似物作为受约束的嵌合氨基酸构件。简洁的合成路线还可以合成具有氨基酸侧链功能的其他衍生物。

  DOI：

  10.1016/s0040-4039(97)01128-3

文献信息

• Bicyclic modulators of androgen receptor function
  申请人：——

  公开号：US20040181064A1

  公开（公告）日：2004-09-16

  The invention provides compounds according to formula I 1 wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia. Also provided are pharmaceutical compositions containing such compounds and processes for preparing some of the compounds of the invention.

  该发明提供了符合公式I1的化合物，其中取代基如本文所述。还提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，比如肌少症。还提供了含有这些化合物的药物组合物以及制备该发明部分化合物的方法。
• BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION
  申请人：Sun Chong-Qing

  公开号：US20080108649A1

  公开（公告）日：2008-05-08

  There are provided compounds according to formula I wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia. Also provided are pharmaceutical compositions containing such compounds and processes for preparing some of the compounds of the invention. Other embodiments are also disclosed.

  提供了按公式I描述的化合物，其中取代基如此描述。还提供了使用这种化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症。还提供了含有这种化合物的药物组合物和制备本发明部分化合物的方法。还揭示了其他实施例。
• US7405234B2
  申请人：——

  公开号：US7405234B2

  公开（公告）日：2008-07-29
• US7772267B2
  申请人：——

  公开号：US7772267B2

  公开（公告）日：2010-08-10
• [EN] FUSED RING KRAS INHIBITORS FOR TREATING DISEASE<br/>[FR] INHIBITEURS DE KRAS À CYCLES FUSIONNÉS POUR LE TRAITEMENT D'UNE MALADIE
  申请人：[en]BLOSSOMHILL THERAPEUTICS, INC.

  公开号：WO2024015262A1

  公开（公告）日：2024-01-18

  The present disclosure relates to fused ring compounds targeting KRAS, pharmaceutical compositions containing the compounds, and methods of using such compounds to treat disease, such as cancer.