(S)-4,4-dimethylpyrrolidin-3-ol | 218602-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-4,4-dimethylpyrrolidin-3-ol
• 英文别名: (3s)-4,4-Dimethyl-3-pyrrolidinol；(3S)-4,4-dimethylpyrrolidin-3-ol
• CAS: 218602-27-8
• 化学式: C₆H₁₃NO
• 分子量: 115.175
• InChiKey: CUVTUAIJKLXTRO-RXMQYKEDSA-N

物化性质

• 沸点：
  179.4±15.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-4,4-dimethylpyrrolidin-3-ol 在 吡啶 、 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 生成 {(S)-1-[(R)-Hydroxy-(2H-pyrazol-3-ylcarbamoyl)-methyl]-pentyl}-carbamic acid (S)-1-benzothiazol-2-yl-4,4-dimethyl-pyrrolidin-3-yl ester
  参考文献：
  名称：

  Novel, potent P2–P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors

  摘要：

  Starting from a potent pantolactone ketoamide cathepsin K inhibitor discovered from structural screening, conversion of the lactone scaffold to a pyrrolidine scaffold allowed exploration of the S(3) subsite of cathepsin K. Manipulation of P3 and P1' groups afforded potent inhibitors with drug-like properties.

  DOI：

  10.1016/j.bmcl.2005.11.101
• 作为产物：
  描述：

  (3S)-N-benzyl-4,4-dimethyl-3-hydroxypyrrolidine 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 以99%的产率得到(S)-4,4-dimethylpyrrolidin-3-ol
  参考文献：
  名称：

  Novel, potent P2–P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors

  摘要：

  Starting from a potent pantolactone ketoamide cathepsin K inhibitor discovered from structural screening, conversion of the lactone scaffold to a pyrrolidine scaffold allowed exploration of the S(3) subsite of cathepsin K. Manipulation of P3 and P1' groups afforded potent inhibitors with drug-like properties.

  DOI：

  10.1016/j.bmcl.2005.11.101

文献信息

• Substituted 6-azabenzimidazole compounds
  申请人：Gilead Sciences, Inc.

  公开号：US11071730B2

  公开（公告）日：2021-07-27

  The present disclosure relates generally to certain 6-azabenzimidazole compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions disclosed herein may be used for the treatment or prevention of diseases, disorders, or infections modifiable by hematopoietic progenitor kinase 1 (HPK1) inhibitors, such as HBV, HIV, cancer, and/or a hyper-proliferative disease.

  本公开一般涉及某些 6-氮杂苯并咪唑化合物、包含所述化合物的药物组合物以及制造和使用所述化合物和药物组合物的方法。本文公开的化合物和组合物可用于治疗或预防可被造血祖细胞激酶 1（HPK1）抑制剂改变的疾病、失调或感染，如 HBV、HIV、癌症和/或过度增殖性疾病。
• SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS HAVING HPK1 INHIBITORY ACTIVITY
  申请人：GILEAD SCIENCES, INC.

  公开号：EP3873608A1

  公开（公告）日：2021-09-08
• SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20200171020A1

  公开（公告）日：2020-06-04

  The present disclosure relates generally to certain 6-azabenzimidazole compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions disclosed herein may be used for the treatment or prevention of diseases, disorders, or infections modifiable by hematopoietic progenitor kinase 1 (HPK1) inhibitors, such as HBV, HIV, cancer, and/or a hyper-proliferative disease.
• US7288541B2
  申请人：——

  公开号：US7288541B2

  公开（公告）日：2007-10-30
• US7402606B2
  申请人：——

  公开号：US7402606B2

  公开（公告）日：2008-07-22