2-(tert-butoxycarbonyl)-6-thia-2-azaspiro[3.4]octane-8-carboxylic acid 6,6-dioxide | 1453315-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: 2-(tert-butoxycarbonyl)-6-thia-2-azaspiro[3.4]octane-8-carboxylic acid 6,6-dioxide
• 英文别名: 2-[(Tert-butoxy)carbonyl]-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid；2-[(2-methylpropan-2-yl)oxycarbonyl]-6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
• CAS: 1453315-60-0
• 化学式: C₁₂H₁₉NO₆S
• 分子量: 305.352
• InChiKey: JCHRSFNTOLNLGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(tert-butoxycarbonyl)-6-thia-2-azaspiro[3.4]octane-8-carboxylic acid 6,6-dioxide 在 叠氮磷酸二苯酯 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.33h， 生成 Tert-butyl 8-amino-6-thia-2-azaspiro[3.4]octane-2-carboxylate 6,6-dioxide
  参考文献：
  名称：

  Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes

  摘要：

  New classes of thia/oxa-azaspiro[3.4]octanes are synthesized through the implementation of robust and step-economic routes. The targeted spirocycles have been designed to act as novel, multifunctional, and structurally diverse modules for drug discovery. Furthermore, enantioselective approaches to the spirocycles are reported.

  DOI：

  10.1021/ol402127b
• 作为产物：
  描述：

  3-乙氧基羰基亚甲基-氮杂丁烷-1-羧酸叔丁酯 在 lithium hydroxide monohydrate 、 间氯过氧苯甲酸 、 cesium fluoride 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 5.83h， 生成 2-(tert-butoxycarbonyl)-6-thia-2-azaspiro[3.4]octane-8-carboxylic acid 6,6-dioxide
  参考文献：
  名称：

  Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes

  摘要：

  New classes of thia/oxa-azaspiro[3.4]octanes are synthesized through the implementation of robust and step-economic routes. The targeted spirocycles have been designed to act as novel, multifunctional, and structurally diverse modules for drug discovery. Furthermore, enantioselective approaches to the spirocycles are reported.

  DOI：

  10.1021/ol402127b

文献信息

• [EN] CDK2 INHIBITORS AND METHODS OF USING THE SAME<br/>[FR] INHIBITEURS DE CDK2 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]CEDILLA THERAPEUTICS, INC.

  公开号：WO2024026484A2

  公开（公告）日：2024-02-01

  The present disclosure provides compounds, compositions thereof, and methods of using the same for the inhibition of CDK2, and the treatment of CDK2 related diseases and disorders.
• Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes
  作者：Dong Bo Li、Mark Rogers-Evans、Erick M. Carreira

  DOI：10.1021/ol402127b

  日期：2013.9.20

  New classes of thia/oxa-azaspiro[3.4]octanes are synthesized through the implementation of robust and step-economic routes. The targeted spirocycles have been designed to act as novel, multifunctional, and structurally diverse modules for drug discovery. Furthermore, enantioselective approaches to the spirocycles are reported.