1-Hydroxyphenoxathiin | 135958-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1-Hydroxyphenoxathiin
• 英文别名: Phenoxathiin-1-ol
• CAS: 135958-49-5
• 化学式: C₁₂H₈O₂S
• 分子量: 216.26
• InChiKey: IRYXNZHJDWOPCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-CBZ-L-alanine anhydride 、 1-Hydroxyphenoxathiin 生成 (S)-phenoxathiin-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate
  参考文献：
  名称：

  Highly enantioselective amide ligation by prior thiol capture

  摘要：

  The mixed disulfides from (R,S)-1-(Cbz-L-alanyloxy)-9-mercapto-phenoxathiin-10-sulfoxide and H-L-Cys-OMe undergo O,N-acyl transfer in DMSO at 23-degrees-C with rate constants of 7.0 h-1 and 0.048 h-1, and a rate ratio of 146; EM values of 0.2 M and 0.0015 M.

  DOI：

  10.1016/0040-4039(91)80674-u
• 作为产物：
  描述：

  S-苄基-(L)-半胱氨酸甲酯 、 Phenoxathiin-1-yl acetate 以 二甲基亚砜 为溶剂， 生成 N-乙酰基-S-苯基-L-甲基半胱氨酸酉酯 、 1-Hydroxyphenoxathiin
  参考文献：
  名称：

  Highly enantioselective amide ligation by prior thiol capture

  摘要：

  The mixed disulfides from (R,S)-1-(Cbz-L-alanyloxy)-9-mercapto-phenoxathiin-10-sulfoxide and H-L-Cys-OMe undergo O,N-acyl transfer in DMSO at 23-degrees-C with rate constants of 7.0 h-1 and 0.048 h-1, and a rate ratio of 146; EM values of 0.2 M and 0.0015 M.

  DOI：

  10.1016/0040-4039(91)80674-u

文献信息

• Small Molecules for Inhibition of Protein Kinases
  申请人：Desai Renee

  公开号：US20110275645A1

  公开（公告）日：2011-11-10

  The invention provides compounds that inhibit protein kinases, prodrugs of the compounds, intermediates and methods of synthesizing the compounds and/or prodrugs, pharmaceutical compositions including the compounds and/or prodrugs and methods of using the compounds and/or prodrugs in a variety of contexts, including, for example, in the treatment and/or prevention of various diseases that are responsive to protein kinase inhibition and/or that are mediated, at least in part, by inappropriate kinase activity.
• SMALL MOLECULE INHIBITORS OF PROTEIN KINASES
  申请人：Desai Ketan

  公开号：US20130058980A1

  公开（公告）日：2013-03-07

  Compounds that modulate, for example, that inhibit, syk kinase, and, optionally other kinases. The compounds can be used to treat a variety of disorders, including inflammatory disorders and autoimmune disorders.
• US8389525B2
  申请人：——

  公开号：US8389525B2

  公开（公告）日：2013-03-05
• US9212143B2
  申请人：——

  公开号：US9212143B2

  公开（公告）日：2015-12-15
• [EN] SMALL MOLECULE INHIBITORS OF PROTEIN KINASES<br/>[FR] INHIBITEURS À PETITE MOLÉCULE DE PROTÉINE KINASES
  申请人：IMC BIOTECHNOLOGY INC

  公开号：WO2011139295A1

  公开（公告）日：2011-11-10

  Compounds that modulate, for example, that inhibit, syk kinase, and, optionally other kinases. The compounds can be used to treat a variety of disorders, including inflammatory disorders and autoimmune disorders.