tert-butyl((4-(iodomethyl)benzyl)oxy)dimethylsilane | 150864-11-2

• 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: tert-butyl((4-(iodomethyl)benzyl)oxy)dimethylsilane
• 英文别名: 1-[(tert-Butyldimethylsilyl)oxymethyl]-4-iodomethylbenzene；tert-butyl-[[4-(iodomethyl)phenyl]methoxy]-dimethylsilane
• CAS: 150864-11-2
• 化学式: C₁₄H₂₃IOSi
• 分子量: 362.326
• InChiKey: KRYPOQVBUKZKBA-UHFFFAOYSA-N

物化性质

• 沸点：
  342.0±30.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tert-butyl((4-(iodomethyl)benzyl)oxy)dimethylsilane 在 sodium hydride 、 氟化氢吡啶 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 6.17h， 生成 α-azido,α-deoxy,ω-4-(hydroxymethyl)benzylhexa(ethyleneglycol)
  参考文献：
  名称：

  甲氨蝶呤在MASPIT优化中作为固定锚部分的替代试剂：合成和生物学评估

  摘要：

  抛锚：对两种化学二聚体方法（TMP和SNAP标签）进行了评估，以提高系统的灵敏度，该系统可在完整的人类细胞中进行小分子靶蛋白分析。他莫昔芬的融合化合物与原核生物特异的DHFR配体束缚在一起，产生的剂量反应曲线向EC 50值明显降低，比原始MTX同系物的EC 50值低。

  DOI：

  10.1002/cbic.201402702
• 作为产物：
  描述：

  对苯二甲醇 在 咪唑 、 碘 、 三苯基膦 作用下， 以 甲基叔丁基醚 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 16.0h， 生成 tert-butyl((4-(iodomethyl)benzyl)oxy)dimethylsilane
  参考文献：
  名称：

  [EN] THERAPEUTIC AGENTS AND CONJUGATES THEREOF
  [FR] AGENTS THÉRAPEUTIQUES ET LEUR CONJUGUÉS

  摘要：

  公开号：

  WO2021178818A3

文献信息

• Aryl aliphatic acids
  申请人：Board of Governors of Wayne State University

  公开号：US05238832A1

  公开（公告）日：1993-08-24

  Novel aryl aliphatic acids or derivatives thereof of the general formula R--(C.sub.x --C.sub.y)--(C.sub.m H.sub.2m)--G--C(R.sup.1).sub.2 --Ar--(C.sub.n H.sub.2n)--COOR.sup.2 are described which exhibit inhibiting activity against 12-lipoxygenase. The compounds are characterized by having a low level of toxicity. Also included are salts and esters of the aliphatic acids.

  题目描述了一种具有抑制12-脂氧合酶活性的新型芳基脂肪羧酸或其衍生物，具有低毒性，还包括这些脂肪酸的盐和酯。
• Covalent and Selective Immobilization of Fusion Proteins
  作者：Maik Kindermann、Nathalie George、Nils Johnsson、Kai Johnsson

  DOI：10.1021/ja034145s

  日期：2003.7.1

  general method for the covalent immobilization of fusion proteins is presented. The approach is based on the unusual mechanism of the human O6-alkylguanine-DNA alkyltransferase, which irreversibly transfers the alkyl group from its substrate, alkylated or benzylated guanine, to a reactive cysteine residue. By attaching the benzyl group to a surface, hAGT fusion proteins immobilize themselves in a specific

  介绍了融合蛋白共价固定的通用方法。该方法基于人类 O6-烷基鸟嘌呤-DNA 烷基转移酶的不寻常机制，该酶不可逆地将烷基从其底物（烷基化或苄基化鸟嘌呤）转移到反应性半胱氨酸残基。通过将苄基连接到表面，hAGT 融合蛋白以特定的共价方式固定自身。hAGT 与其底物反应的特异性甚至允许直接从细胞提取物中特异性固定 hAGT 融合蛋白，使该方法成为当前使用的固定程序的有吸引力的替代方法。
• Substrates for o6-alkylguanina-dna alkyltransferase
  申请人：Kindermann Maik

  公开号：US20060024775A1

  公开（公告）日：2006-02-02

  The present invention relates to methods of transferring a label from novel substrates to O 6 -alkylguanine-DNA alkyltransferases (AGT) and O 6 -alkylguanine-DNA alkyltransferase fusion proteins, and to novel substrates suitable in such methods. Proteins of interest are incorporated into an AGT fusion protein, the AGT fusion protein is contacted with particular AGT substrates carrying a label, and the AGT fusion protein is detected and optionally further manipulated using the label in a system designed for recognising and/or handling the label. The particular AGT substrates used in the method of the invention are O 6 -substituted guanine derivatives or related nitrogen containing hydroxy-heterocycles and their sulfur analogs wherein the O 6 -substituent is an activated methyl derivative suitable for transfer from guanine or the corresponding heterocycle to AGT, and further carrying a label or a plurality of same or different labels. The invention relates also to the novel AGT substrates as such, to methods of manufacture of such novel substrates, and to intermediates useful in the synthesis of such novel AGT substrates.

  本发明涉及将标签从新型底物转移至O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）和O6-烷基鸟嘌呤-DNA烷基转移酶融合蛋白质的方法，以及适用于这种方法的新型底物。感兴趣的蛋白质被并入AGT融合蛋白质中，AGT融合蛋白质与携带标签的特定AGT底物接触，并使用系统识别和/或处理标签来检测AGT融合蛋白质并可选地进一步操作。本发明中使用的特定AGT底物是O6取代鸟嘌呤衍生物或相关氮含杂环氢氧基化合物及其硫化物，其中O6取代基是适合从鸟嘌呤或相应杂环到AGT转移的活性甲基衍生物，并进一步携带一个标签或多个相同或不同的标签。本发明还涉及新型AGT底物本身，制造这种新型底物的方法，以及合成这种新型AGT底物的中间体。
• Substrates for O6-alkylguanina-DNA alkyltransferase
  申请人：Ecole Polytechnique Ferdeale de Lausanne

  公开号：US07799524B2

  公开（公告）日：2010-09-21

  The invention relates to compounds of formula 1 wherein R1-R2 is a guanine derivative; X is oxygen or sulfur; R3 is a heteroaromatic, unsaturated heterocyclyl or an alkynyl group with the double or triple bond connected to CH2; R4 is a linker; and L is a label, a plurality of same or different labels, a bond connecting R4 to R1 forming a cyclic substrate, or a further group —R3—CH2—X—R1-R2. The invention relates also to methods of manufacture of such novel AGT substrates, to intermediates useful in the synthesis of such AGT substrates, and to a method of transferring a label from such AGT substrates to O6-alkylguanine-DNA alkyltransferase (AGT) fusion proteins comprising proteins of interest.

  该发明涉及式1的化合物，其中R1-R2是鸟嘌呤衍生物；X是氧或硫；R3是杂环芳香基，不饱和杂环基或双键或三键连接到CH2的炔基；R4是连接基；L是标记，相同或不同的多个标记，连接R4到R1形成环状底物的键，或进一步的基团-R3- -X-R1-R2。该发明还涉及制造此类新型AGT底物的方法，用于合成此类AGT底物的中间体以及将标记从此类AGT底物转移至包含感兴趣蛋白质的O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）融合蛋白质的方法。
• (Carboxyalkyl)benzyl Propargyl Ethers as Selective Inhibitors of Leukocyte-Type 12-Lipoxygenases
  作者：Gilles Gorins、Lethea Kuhnert、Carl R. Johnson、Lawrence J. Marnett

  DOI：10.1021/jm9606047

  日期：1996.1.1

  A series of (carboxyalkyl)benzyl propargyl ethers was synthesized and tested as inhibitors of 12-lipoxygenase (12-LO) from porcine leukocyte cytosol. Optimum activity was displayed by 3-[4-[(2-tridecynyloxy)methyl]phenyl]propanoic acid. Altering the length of the alkyl side chain attached to the acetylenic group reduced activity. Changing the substitution pattern in the (carboxyalkyl)benzyl group from para to meta or ortho also reduced activity. Analogs in which the triple bond was replaced by a double bond or an allene displayed reduced activity, whereas fully saturated analogs were inactive. High concentrations (10 mu M) of the most potent acetylenic (carboxylalkyl)benzyl ethers did not inhibit human platelet 12-LO, human neutrophil 5-LO, rabbit reticulocyte 15-LO, or soybean 15-LO. Thus, this class of compounds represents the first example of isoform specific LO inhibitors.