1-(prop-2-yn-1-yloxy)-4-propylbenzene

• 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: 1-(prop-2-yn-1-yloxy)-4-propylbenzene
• 英文别名: 1-propyl-4-prop-2-ynoxybenzene
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: REGMBNVLCUXCOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  2-((3-azidophenyl)sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 、 1-(prop-2-yn-1-yloxy)-4-propylbenzene 在 copper(ll) sulfate pentahydrate 作用下， 以 水 、 叔丁醇 为溶剂， 以93%的产率得到6,7-dimethoxy-2-((3-(4-((4-propylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)phenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  新型三唑-四氢异喹啉杂化物作为人类芳香酶抑制剂。

  摘要：

  合成了十三种新的三唑-四氢异喹啉衍生物（2a-m），并对其芳香酶抑制活性进行了评估。七个三唑显示出显着的芳香化酶抑制活性（IC 50  = 0.07–1.9μM）。有趣的是，在三唑环（2i）4位带有萘氧基甲基取代基的类似物表现出最强的芳香化酶抑制活性（IC 50  = 70 nM），而对正常细胞没有明显的细胞毒性。分子对接还表明与残基Thr310的直接H键相互作用可能是最有效的化合物2i的显着抑制作用。

  DOI：

  10.1016/j.bioorg.2019.103327
• 作为产物：
  描述：

  4-丙基苯酚 、 3-溴丙炔 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以90%的产率得到1-(prop-2-yn-1-yloxy)-4-propylbenzene
  参考文献：
  名称：

  新型三唑-四氢异喹啉杂化物作为人类芳香酶抑制剂。

  摘要：

  合成了十三种新的三唑-四氢异喹啉衍生物（2a-m），并对其芳香酶抑制活性进行了评估。七个三唑显示出显着的芳香化酶抑制活性（IC 50  = 0.07–1.9μM）。有趣的是，在三唑环（2i）4位带有萘氧基甲基取代基的类似物表现出最强的芳香化酶抑制活性（IC 50  = 70 nM），而对正常细胞没有明显的细胞毒性。分子对接还表明与残基Thr310的直接H键相互作用可能是最有效的化合物2i的显着抑制作用。

  DOI：

  10.1016/j.bioorg.2019.103327

文献信息

• METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES
  申请人：President and Fellows of Harvard College

  公开号：US20130122535A1

  公开（公告）日：2013-05-16

  Synthesis of many proteins is tightly controlled at the level of translation and plays an essential role in fundamental processes such as cell growth and proliferation, signaling, differentiation or death. Methods that allow imaging and identification of nascent proteins allow for dissecting regulation of translation, both spatially and temporally, including in whole organisms. Described herein are robust chemical methods for imaging and affinity-purifying nascent polypeptides in cells and in animals, based on puromycin analogs. Puromycin analogs of the present invention form covalent conjugates with nascent polypeptide chains, which are rapidly turned over by the proteasome and can be visualized and specifically captured by a bioorthogonal reaction (e.g., [3+2]cycloaddition). The methods of the present invention have broad applicability for imaging protein synthesis and for identifying proteins synthesized under various physiological and pathological conditions in vivo.

  许多蛋白质的合成在翻译水平上受到严格的控制，并在细胞生长和增殖、信号传递、分化或死亡等基本过程中发挥着重要作用。允许成像和鉴定新生蛋白质的方法可以在整个生物体内解剖翻译调控的空间和时间，包括在细胞和动物中。本文介绍了一种基于普鲁霉素类似物的成像和亲和纯化新生多肽的强大化学方法。本发明的普鲁霉素类似物与新生多肽链形成共价结合物，这些共价结合物被蛋白酶体迅速降解，并可以通过生物正交反应（例如[3+2]环加成）进行可视化和特异性捕获。本发明的方法具有广泛的适用性，可用于成像蛋白质合成并在体内识别在各种生理和病理条件下合成的蛋白质。
• Aromatic allene compounds and preparation thereof
  申请人：NIPPON PAINT CO., LTD.

  公开号：EP0333445A2

  公开（公告）日：1989-09-20

  Allene compounds have the formula: (CH₂=C=CH-O)n- R -(A)m      (I) in which R is a substituted or unsubstituted mono- or poly­valent benzene, naphthalene, anthracene, azobenzene, bisphenol or polyphenyl (containing 2 to 10 benzene rings connected in line) nucleus, or a group -Ph - R¹ - Ph -      (II) (in which each group Ph is a phenylene, halophenylene, alkylphenylene, cyanophenylene or alkoxyphenylene group, and the chain R¹ linking the two group Ph is a C₁ - C₆ aliphatic hydrocarbon or an alicyclic hydrocarbon group, the chain optionally being interrupted by one or more oxygen atoms); A is a carboxyl or sulphonyl group or a group -CH=C=CH₂; n is an integer of from 1 to 10; m is 0, 1, 2 or 3; and the sum of m and n is equal to the valence of the group R. They may be prepared by isomerization of corresponding propargyloxy compounds.

  烯化合物的化学式为 (CH₂=C=CH-O)n- R -(A)m (I) 其中 R 是取代或未取代的单价或多价苯、萘、蒽、偶氮苯、双酚或多苯基（含有 2 至 10 个连成一线的苯环）核，或一个基团 -Ph - R¹ - Ph - (II) (其中每个基团 Ph 是亚苯基、卤代亚苯基、烷基亚苯基、氰基亚苯基或烷氧基亚苯基基团，连接两个基团 Ph 的链 R¹ 是 C₁ - C₆ 脂肪族烃或脂环族烃基团，该链可选择被一个或多个氧原子打断）； A 是羧基或磺酰基或基团-CH=C=CH₂；n 是 1 至 10 的整数；m 是 0、1、2 或 3；m 与 n 之和等于基团 R 的化合价。 它们可以通过相应的丙炔基氧基化合物的异构化反应制备。
• MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD.

  公开号：US20170312363A1

  公开（公告）日：2017-11-02

  Disclosed are a multifunctionalized polyethylene glycol derivative and a preparation method therefor. The derivative has an H-shaped structure as represented by formula (1) and comprises one linear core LPEG and four PEG branch chains, where n 1 , n 2 , n 3 , and n 4 respectively are the degrees of polymerization of the branch chains, U 1 and U 2 are trivalent branching groups connecting the core LPEG to two of the PEG branch chains, F 1 and F 2 contain a functional group or a protected form R 01 thereof and may or may not contain a branched group G, correspondingly, the number of R 01 is one or more, F 1 and F 2 are either identical or different, any one linking group in the molecule or any linking group formed with an adjacent heteroatom group can either remain stable or be degraded, and any one PEG segment in the molecule is discretely polydispersed or monodispersed. The multifunctional polyethylene glycol is flexible and diverse in terms of branch structures and the lengths of branching arms, has various parameters and performance indicators that are adjustable and easy to control, and has a broad applicability.
• US5340931A
  申请人：——

  公开号：US5340931A

  公开（公告）日：1994-08-23
• US9212381B2
  申请人：——

  公开号：US9212381B2

  公开（公告）日：2015-12-15