乙酰硫酯-八聚乙二醇-琥珀酰亚胺酯 | 1070798-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 乙酰硫酯-八聚乙二醇-琥珀酰亚胺酯
• 英文名称: 3-[2-(2-{2-[2-(2-{2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy}ethoxy)ethoxy]propionic acid 2,5-dioxopyrrolidin-1-yl ester
• 英文别名: S-acetyl-dPEG8 NHS ester；dPEG(R)8-SATA (S-acetyl-dPEG(R)8-NHS ester)；(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• CAS: 1070798-99-0
• 化学式: C₂₅H₄₃NO₁₃S
• 分子量: 597.681
• InChiKey: WZUXUXSZGJYBSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  40
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  180
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  乙酰硫酯-八聚乙二醇-琥珀酰亚胺酯 、 (S)-3-{4-[4-(3-aminopropoxy)-2,6-dichlorobenzoylamino]phenyl}-2-[2-chloro-4-(3-hydroxybenzylcarbamoyl)benzoylamino]propionic acid 在 二甲基亚砜 、 N,N-二异丙基乙胺 作用下， 反应 1.0h， 以114 mg的产率得到(S)-2-[2-chloro-4-(3-hydroxybenzylcarbamoyl)benzoylamino]-3-(4-{2,6-dichloro-4-[3-(3-{2-[2-(2-{2-[2-[2-(2-{2-[3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)propionylamino]ethoxy}ethoxy)ethoxy]ethoxy]ethoxy}ethoxy)ethoxy]ethoxy}propionylamino)propoxy]benzoylamino}phenyl)propionic acid
  参考文献：
  名称：

  INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1

  摘要：

  该发明涉及以下式I的化合物：其中R1、R2和n在详细说明和权利要求中有定义。具体而言，本发明涉及式I的化合物用于制备和传递共轭基团，如小分子、肽、核酸、荧光基团和聚合物，这些共轭基团与LFA-1整合素拮抗剂连接，以靶向表达LFA-1的细胞。

  公开号：

  US20130197059A1

文献信息

• [EN] INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4<br/>[FR] CONJUGUÉS D'ANTAGONISTES D'INTÉGRINE POUR CIBLER DES CELLULES EXPRIMANT LE VLA-4
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013110680A1

  公开（公告）日：2013-08-01

  The invention relates to compounds of formula I: wherein R1, R2, and n are defined in the detailed description and claims. In particular, the present invention relates to the compounds of formula I for use in the manufacture and delivery of conjugated moieties such as small molecules, peptides, nucleic acids, fluorescent moieties, and polymers which are linked to VLA-4 integrin antagonists to target cells expressing VLA-4.

  该发明涉及以下式I的化合物：其中R1、R2和n在详细说明和权利要求中有定义。具体而言，本发明涉及式I的化合物，用于制造和传递共轭基团，如小分子、肽、核酸、荧光基团和聚合物，这些基团与VLA-4整合素拮抗剂连接，以靶向表达VLA-4的细胞。
• [EN] INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3<br/>[FR] CONJUGUÉS D'ANTAGONISTE DE L'INTÉGRINE POUR UNE ADMINISTRATION CIBLÉE À DES CELLULES EXPRIMANT L'ALPHA-V-BÊTA-3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013110578A1

  公开（公告）日：2013-08-01

  The invention relates to compounds of formula (I): wherein R1, R2, and n are defined in the detailed description and claims. In particular, the present invention relates to the compounds of formula (I) for use in the manufacture and delivery of conjugated moieties such as small molecules, peptides, nucleic acids, fluorescent moieties, and polymers which are linked to alpha-V-beta-3 integrin antagonists to target cells expressing alpha-V-beta-3.

  本发明涉及如下公式(I)的化合物：其中R1、R2和n在详细描述和权利要求中定义。特别是，本发明涉及用于制造和输送与alpha-V-beta-3整合素拮抗剂连接的共轭部分，如小分子、肽、核酸、荧光部分和聚合物，以针对表达alpha-V-beta-3的细胞的公式(I)的化合物。
• INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150031715A1

  公开（公告）日：2015-01-29

  The invention relates to compounds of formula I: wherein R1, R2, and n are defined in the detailed description and claims. In particular, the present invention relates to the compounds of formula I for use in the manufacture and delivery of conjugated moieties such as small molecules, peptides, nucleic acids, fluorescent moieties, and polymers which are linked to VLA-4 integrin antagonists to target cells expressing VLA-4.

  本发明涉及I式化合物：其中R1，R2和n在详细说明和权利要求中定义。特别地，本发明涉及I式化合物的制造和传递，用于制造和传递与VLA-4整合素拮抗剂连接的共轭基团，例如小分子、肽、核酸、荧光基团和聚合物，以靶向表达VLA-4的细胞。
• INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150038523A1

  公开（公告）日：2015-02-05

  The invention relates to compounds of formula (I): wherein R 1 , R 2 , and n are defined in the detailed description and claims. In particular, the present invention relates to the compounds of formula (I) for use in the manufacture and delivery of conjugated moieties such as small molecules, peptides, nucleic acids, fluorescent moieties, and polymers which are linked to alpha-V-beta-integrin antagonists to target cells expressing alpha-V-beta-3.

  本发明涉及式(I)的化合物，其中R1、R2和n在详细说明和权利要求中有定义。特别地，本发明涉及式(I)的化合物，用于制造和传递与α-V-β整合素拮抗剂连接的共轭基团，如小分子、肽、核酸、荧光基团和聚合物，以靶向表达α-V-β-3的细胞。
• Array-based fluorescence assay for serine/threonine kinases using specific chemical reaction
  作者：Shoji Akita、Naoki Umezawa、Nobuki Kato、Tsunehiko Higuchi

  DOI：10.1016/j.bmc.2008.07.007

  日期：2008.8

  We report herein the development of an efficient fluorescence assay for serine/threonine kinases using a peptide array. Our approach is based on chemical reactions specific to phosphoserine and phosphothreonine residues, that is, base-mediated beta-elimination of the phosphate group and subsequent Michael addition of a thiol-containing fluorescent reagent. This procedure enables the covalent introduction of a. uorescent moiety into the phosphorylated peptide. Novel. uorescent reagents were designed for this purpose and synthesized. With these reagents, protein kinase A (PKA) and Akt-1 activities were readily detected. Our method can also be used to measure the activity of kinase inhibitors. This assay is expected to be widely applicable in kinase research. (c) 2008 Published by Elsevier Ltd.