PhthN-dPEG₄-C0₂H | 1236075-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: PhthN-dPEG₄-C0₂H
• 英文别名: 15-N-(phthalimido)-(3,6,9,12-tetraoxa)pentadecanoic acid；N-(phthalimido)amino-dPEG(4)-acid；3-[2-[2-[2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• CAS: 1236075-40-3
• 化学式: C₁₉H₂₅NO₈
• 分子量: 395.409
• InChiKey: RALKPFGUYZLBHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  PhthN-dPEG₄-C0₂H 在 N-甲基吗啉 、 copper(l) iodide 、 氢气 、 palladium diacetate 、 1-羟基苯并三唑 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 9.59h， 生成 PhthN-dPEG₄-(Tyr-OCH₂-triazole-CH₂CH₂-NH-t-boc)-NH-m-dPEG₁₁
  参考文献：
  名称：

  [EN] DISCRETE PEG CONSTRUCTS
  [FR] CONSTRUCTIONS DE PEG DISCRÈTES

  摘要：

  披露了线性离散PEG构造，可以以精确和可重复的方式创建和生产。能够做到这些的关键是，离散PEGX中的x可以在大约2到大约64之间变化，用于制造每个线性部分的过程被控制，以基本上提供一个寡聚体/一个化合物。具有可变长度的线性离散PEG构造，(a) 主要是具有连接诊断或治疗基团的沿着附着核心链附着的线性离散PEG构造，附着在优选定位器上; (b) 是线性部分上的末端构造的m-离散PEG，并且“隐藏”; (c) 或线性离散PEG，带有可以是负电荷、正电荷或中性的终端基团; 任何离散PEG部分都可以设计为进入细胞后被切割。

  公开号：

  WO2015023979A1

文献信息

• Branched Discreet PEG Constructs
  申请人：Davis Paul D.

  公开号：US20130052130A1

  公开（公告）日：2013-02-28

  Disclosed are general and “substantially pure” branched discrete polyethylene glycol constructs useful in attaching to a variety of biologically active groups, for example, preferential locators, as well as biologics like enzymes, for use in diagnostics, e.g. imaging, therapeutics, theranostics, and moieties specific for other applications. In its simplest intermediate state, a branched discrete polyethylene glycol construct is terminated at one end by a chemically reactive moiety, “A”, a group that is reactive with a biologic material that creates “A”, which is a biologically reactive group, connected through to a branched core (BC) which has attached at least two dPEG-containing chains, indicated by the solid line, , having terminal groups, which can be charged, non-reactive or reactable moieties and containing between about 2 and 64 dPEG residues.

  揭示了一般的和“基本纯净”的分支离散聚乙二醇构建物，可用于连接各种生物活性基团，例如，偏好定位器，以及生物制剂如酶，用于诊断，例如成像，治疗，治疗诊断学和特定于其他应用的基团。在其最简单的中间状态中，分支离散聚乙二醇构建物在一端由一种化学反应性基团“A”终止，该基团与创建“A”的生物材料发生反应，该生物材料是一种生物反应性基团，通过连接到至少两个dPEG含链的分支核心（BC）结束，这些链由实线表示，具有端基团，可以是带电的、非反应性的或可反应的基团，并含有约2至64个dPEG残基。
• Discrete PEG constructs
  申请人：EquIP, LLC

  公开号：US10786497B2

  公开（公告）日：2020-09-29

  Disclosed are linear discrete PEG constructs, which can be created and produced in a precise and reproducible way. Key to being able to do these things, where x in the discrete PEGx can vary from about 2 to about 64, is that the processes used to make each linear portion is controlled to give essentially one oligomer/one compound. Having a variable length linear discrete PEG construct that is (a) primarily an linear discrete PEG construct with diagnostic or therapeutic groups attached along a chain of attachment cores, which is attached to a preferential locator; (b) is an m-discrete PEG as the terminal construct on the linear portion, and “hidden”; (c or linear discrete PEG with a terminus group that can be either negatively or positively charged, or neutral; and any of the discrete PEG portions can be designed to be cleaved after entering the cell.

  所公开的是线性离散 PEG 构合物，可以精确和可重复的方式创建和生产。离散 PEGx 中的 x 可以在约 2 到约 64 之间变化，能够做到这一点的关键在于控制用于制造每个线性部分的工艺，以便基本上得到一种低聚物/一种化合物。长度可变的线性离散 PEG 构建物(a)主要是线性离散 PEG 构建物，沿连接核链连接有诊断或治疗基团，连接到优先定位器上；(b)是线性部分上的末端构建物 m-离散 PEG，并且 "隐藏 "起来；(c)或线性离散 PEG，其末端基团可以带负电或正电，也可以带中性；任何离散 PEG 部分都可以设计成在进入细胞后被裂解。
• Design and Synthesis of Bis-Biotin-Containing Reagents for Applications Utilizing Monoclonal Antibody-Based Pretargeting Systems with Streptavidin Mutants
  作者：D. Scott Wilbur、Steven I. Park、Ming-Kuan Chyan、Feng Wan、Donald K. Hamlin、Jaideep Shenoi、Yukang Lin、Shani M. Wilbur、Franz Buchegger、Anastasia Pantelias、John M. Pagel、Oliver W. Press

  DOI：10.1021/bc100030q

  日期：2010.7.21

  Previous studies have shown that pretargeting protocols, using cancer-targeting fusion proteins, composed of 4 anti-CD20 single chain Fv (scFv) fragments and streptavidin (scFv(4)-SAv), followed by a biotinylated dendrimeric N-acetyl-galactosamine blood clearing agent (CA), 1, then a radiolabeled DOTA-biotin derivative (a monobiotin), 3a, can provide effective therapy for lymphoma xenografts in mouse models. A shortcoming in this pretargeting system is that endogenous biotin may affect its efficacy in patients. To circumvent this potential problem, we investigated a pretargeting system that employs anti-CD20 scFv(4)-SAv mutant fusion proteins with radioiodinated bis-biotin derivatives. With that combination of reagents, good localization of the radiolabel to lymphoma tumor xenografts was obtained in the presence of endogenous biotin. However, the blood clearance reagents employed in the studies were ineffective, resulting in abnormally high levels of radioactivity in other tissues. Thus, in the present investigation a bis-biotin-trigalactose blood clearance reagent, 2, was designed, synthesized, and evaluated in vivo. Additionally, another DOTA-biotin derivative (a bis-biotin), 4a, was designed and synthesized, such that radiometals (e.g., In-111, Y-90, Lu-177) could be used in the pretargeting protocols employing scFv(4)-SAv mutant fusion proteins. Studies in mice demonstrated that the CA 2 was more effective than CA 1 at removing [I-125]scFv(4)-SAv-S45A mutant fusion proteins from blood. Another in vivo study compared tumor targeting and normal tissue concentrations of the new reagents (2 and [In-111]4b) with standard reagents (1 and [In-111]3b) used in pretargeting protocols. The study showed that lymphoma xenografts could be targeted in the presence of endogenous biotin when anti-CD20 fusion potent containing SAv mutants (scFv(4)-SAv-S45A or scFv(4)-SAv-Y43A) were employed in combination with CA 2 and [In-111]4b). Importantly, normal tissue concentrations of [In-111]4b were similar to those obtained using the standard reagents (1 and [In-111]3b), except that the blood and liver concentrations were slightly higher with the new reagents. While the reasons for the higher blood and liver concentrations are unknown, the differences in the galactose structures of the clearance agents 1 and 2 may play a role.
• Discrete PEG Constructs
  申请人：EquIP, LLC

  公开号：US20150065711A1

  公开（公告）日：2015-03-05

  Disclosed are linear discrete PEG constructs, which can be created and produced in a precise and reproducible way. Key to being able to do these things, where x in the discrete PEG x can vary from about 2 to about 64, is that the processes used to make each linear portion is controlled to give essentially one oligomer/one compound. Having a variable length linear discrete PEG construct that is (a) primarily an linear discrete PEG construct with diagnostic or therapeutic groups attached along a chain of attachment cores, which is attached to a preferential locator; (b) is an m-discrete PEG as the terminal construct on the linear portion, and “hidden”; (c or linear discrete PEG with a terminus group that can be either negatively or positively charged, or neutral; and any of the discrete PEG portions can be designed to be cleaved after entering the cell.