[(2S,3S,6S)-3-Acetoxy-6-((2R,3R)-3-benzyloxy-2-hydroxy-butyl)-2-((E)-1,1-dimethyl-4-oxo-but-2-enyl)-2-hydroxy-tetrahydro-pyran-(4E)-ylidene]-acetic acid methyl ester | 304429-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2S,3S,6S)-3-Acetoxy-6-((2R,3R)-3-benzyloxy-2-hydroxy-butyl)-2-((E)-1,1-dimethyl-4-oxo-but-2-enyl)-2-hydroxy-tetrahydro-pyran-(4E)-ylidene]-acetic acid methyl ester
• 英文别名: methyl (2E)-2-[(2S,3S,6S)-3-acetyloxy-2-hydroxy-6-[(2R,3R)-2-hydroxy-3-phenylmethoxybutyl]-2-[(E)-2-methyl-5-oxopent-3-en-2-yl]oxan-4-ylidene]acetate
• CAS: 304429-04-7
• 化学式: C₂₇H₃₆O₉
• 分子量: 504.577
• InChiKey: SMAJAMWEBMHXCY-UZWKRNOLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(2S,3S,6S)-3-Acetoxy-6-((2R,3R)-3-benzyloxy-2-hydroxy-butyl)-2-((E)-1,1-dimethyl-4-oxo-but-2-enyl)-2-hydroxy-tetrahydro-pyran-(4E)-ylidene]-acetic acid methyl ester 在 氟化氢吡啶 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of a new class of bryostatin analogues: the role of the C20 substituent in protein kinase C binding

  摘要：

  The synthesis and biological assay of a new series of designed bryostatin analogues modified at the C20 position are described. These compounds are found to bind to protein kinase C with affinities of up to 1.5 nM, demonstrating that variations at C20 can indeed be used to tune affinity and potentially function. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01100-x
• 作为产物：
  描述：

  [(2S,3S,6S)-3-Acetoxy-6-[(2R,3R)-3-benzyloxy-2-(4-methoxy-phenoxy)-butyl]-2-((E)-4,4-dimethoxy-1,1-dimethyl-but-2-enyl)-2-methoxy-tetrahydro-pyran-(4E)-ylidene]-acetic acid methyl ester 在 氢氟酸 、 水 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 [(2S,3S,6S)-3-Acetoxy-6-((2R,3R)-3-benzyloxy-2-hydroxy-butyl)-2-((E)-1,1-dimethyl-4-oxo-but-2-enyl)-2-hydroxy-tetrahydro-pyran-(4E)-ylidene]-acetic acid methyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of a new class of bryostatin analogues: the role of the C20 substituent in protein kinase C binding

  摘要：

  The synthesis and biological assay of a new series of designed bryostatin analogues modified at the C20 position are described. These compounds are found to bind to protein kinase C with affinities of up to 1.5 nM, demonstrating that variations at C20 can indeed be used to tune affinity and potentially function. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01100-x

文献信息

• BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES
  申请人：WENDER PAUL A.

  公开号：US20090270492A1

  公开（公告）日：2009-10-29

  Biologically active compounds related to the bryostatin family of compounds, including methods of utilizing the same.

  与拟静脉注射家族相关的生物活性化合物，包括利用这些化合物的方法。
• Byrostatin analogues, synthetic methods and uses
  申请人：Wender A. Paul

  公开号：US20070270485A1

  公开（公告）日：2007-11-22

  Biologically active compounds related to the bryostatin family of compounds, having simplified spacer domains and/or improved recognition domains are disclosed, including methods of preparing and utilizing the same.
• Bryostatin Analogues, Synthetic Methods and Uses
  申请人：The Board of Trustees of the Leland Stanford Juni

  公开号：US20130123518A1

  公开（公告）日：2013-05-16

  Biologically active compounds related to the bryostatin family of compounds, having simplified spacer domains and/or improved recognition domains are disclosed, including methods of preparing and utilizing the same.
• US8497385B2
  申请人：——

  公开号：US8497385B2

  公开（公告）日：2013-07-30
• US8735609B2
  申请人：——

  公开号：US8735609B2

  公开（公告）日：2014-05-27