heptane-4,6-diynoic acid | 19444-14-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: heptane-4,6-diynoic acid
• 英文别名: hepta-4,6-diynoic acid；4,6-heptadiynic acid；Hepta-4,6-diin-1-saeure；Heptadiin-(4.6)-saeure；4,6-Heptadiynoic acid
• CAS: 19444-14-5
• 化学式: C₇H₆O₂
• mdl: MFCD19228531
• 分子量: 122.123
• InChiKey: FXBYBACGKUGVSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  heptane-4,6-diynoic acid 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 heptane-4,6-diynoic acid chloride
  参考文献：
  名称：

  Synthesis and Self-Assembling Properties of Diacetylene-Containing Glycolipids

  摘要：

  [GRAPHICS]Diacetylene-containing glycolipids are interesting molecules that have many potential applications. The polydiacetylenes formed by the cross-linking of the diacetylene lipids are new stimuli-responsive materials. In particular, diacetylene lipids that can form gels in aqueous solution are of great interest in designing functional biocompatible materials. We have synthesized a series of diacetylene-containing sugar lipids with different chain lengths, substituents, and positions of diyne and studied their self-assembling properties in several solvents including hexane, ethanol, and ethanol/water mixture. Among the 24 diacetylene-containing glycolipids synthesized, many of them exhibited excellent gelation properties in ethanol or ethanol/water mixture. Typically very long chain diacetylene lipids formed gels in ethanol and hexane. Shorter chain diacetylene lipids and compounds with one free hydroxyl group can form gels in aqueous solution. The position of the diyne and chain length affect the self-assembling properties significantly. The systematic study of the gelation properties for diacetylene lipids with different lipid chains can help us to understand the structure requirement for the desired physical properties. Optical microscopy studies showed that the molecules form interesting architectures such as tubules, rods, sheets, and belts. The resulting organogels can also be cross-linked and give different colored polymerized gels depending on their structures.

  DOI：

  10.1021/jo052317t
• 作为产物：
  描述：

  Heptadiin-(4.6)-saeureamid 在 sodium hydroxide 作用下， 生成 heptane-4,6-diynoic acid
  参考文献：
  名称：

  Ushakova,T.M. et al., Journal of Organic Chemistry USSR (English Translation), 1968, vol. 4, p. 242 - 244

  摘要：

  DOI：

文献信息

• [EN] ORGANOTELLURIUM COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS D'ORGANOTELLURE, LEURS COMPOSITIONS ET MÉTHODES D'UTILISATION
  申请人：UNIV TORONTO

  公开号：WO2016026046A1

  公开（公告）日：2016-02-25

  A compound of formula (I) as described herein and methods and uses thereof as probes in the mass tagging of biosensors or biologically active materials for use in mass cytometry analysis of tissue samples such as in the detection, labelling and quantification of oxygen-deprived cells by using, for example, tellurophene-tagged 2-nitroimidazole.

  具有公式(I)的化合物，以及将其作为探针用于生物传感器或生物活性材料的质量标记的方法和用途，例如使用镉印记的2-硝基咪唑在组织样本的质量细胞术分析中检测、标记和量化缺氧细胞。
• Signal Amplification for Imaging Mass Cytometry
  作者：Rahul Rana、Rodolfo F. Gómez-Biagi、Jay Bassan、Mark Nitz

  DOI：10.1021/acs.bioconjchem.9b00559

  日期：2019.11.20

  been developed for Imaging Mass Cytometry (IMC). The reagent consists of an alkaline phosphatase substrate tethered to a tellurophene which serves as reporter group for mass cytometry. Upon phosphate hydrolysis, a quinone methide is released which covalently labels local nucleophiles. This strategy is a useful complement to heavy isotope antibody conjugates as it facilitates signal amplification for

  已经开发了一种用于酶催化的报告分子沉积染色剂，用于成像质量细胞计数法（IMC）。该试剂由与磷酸二氢酯拴在一起的碱性磷酸酶底物组成，该碲二苯醚用作大规模细胞计数的报告基团。磷酸盐水解后，释放出醌甲基化物，其共价标记局部亲核试剂。此策略是重同位素抗体偶联物的有用补充，因为它有助于信号扩增以进行低丰度生物标志物检测。该工作流程可方便地与标准IMC抗体染色整合，以进行多参数抗原检测。
• Organotellurium scaffolds for mass cytometry reagent development
  作者：Hanuel Park、Landon J. Edgar、Matthew A. Lumba、Lisa M. Willis、Mark Nitz

  DOI：10.1039/c5ob00593k

  日期：——

  Mass cytometry (MC) is a powerful tool for studying heterogeneous cell populations. In previous work, our laboratory has developed an MC probe for hypoxia bearing a methyl telluride mass tag. The methyl telluride was unoptimized, displaying stability and toxicity limitations. Here, we investigate three classes of organotelluriums as MC mass tags: methyl tellurides, trifluoromethyl tellurides and 2

  质谱分析（MC）是研究异种细胞群体的强大工具。在以前的工作中，我们的实验室开发了一种带有甲基碲化物质量标签的低氧MC探针。碲化甲基未经优化，显示出稳定性和毒性限制。在这里，我们调查三类有机碲作为MC质量标签：甲基碲化物，三氟甲基碲化物和2-烷基碲化物。NMR用于比较这些化合物在水溶液和有机溶液中的稳定性，并分析了这些化合物在Jurkat细胞中的毒性。在干燥的环境条件下，甲基碲化物对有机溶液中的好氧氧化具有中等稳定性。三氟甲基碲化物在有机溶液中对需氧氧化稳定，但在水溶液中分解。50 > 200μM）。碲烯的合成可行性，化学稳定性和有限的毒性表明，这些基团将是MC试剂开发的良好选择。
• Synthesis of long-chain terminal diacetylenic compounds
  作者：L. G. Fedenok、O. M. Usov、M. S. Shvartsberg

  DOI：10.1007/bf00714431

  日期：1995.8

  Cleavage of long-chain 2-methyl-3,5-alkadiyne-2-ols in anhydrous benzene in the presence of KOH (Favorsky retroreaction) is accompanied by migration of the triple bonds and it affords 2,4-alkadiynes. Proton-donor additives (alcohol or water) completely suppress the isomerization process and enable preparation of terminal acetylenes in high yields.

  在 KOH 存在下，长链 2-甲基-3,5-链二炔-2-醇在无水苯中的裂解（Favorsky 逆反应）伴随着三键的迁移，得到 2,4-链二炔。质子供体添加剂（酒精或水）完全抑制异构化过程，并能够以高收率制备末端乙炔。
• Organotellurium compounds, compositions and methods of use thereof
  申请人：THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO

  公开号：US10222380B2

  公开（公告）日：2019-03-05

  A compound of formula (I) as described herein and methods and uses thereof as probes in the mass tagging of biosensors or biologically active materials for use in mass cytometry analysis of tissue samples such as in the detection, labelling and quantification of oxygen-deprived cells by using, for example, tellurophene-tagged 2-nitroimidazole.

  本文所述的式(I)化合物及其作为生物传感器或生物活性材料质量标记探针的方法和用途，可用于组织样品的质谱分析，例如使用碲吩标记的 2-硝基咪唑对缺氧细胞进行检测、标记和定量。