1-(3-丙胺基)-2,3,3-三甲基-3H-吲哚-5-磺酸溴盐 | 773041-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-(3-丙胺基)-2,3,3-三甲基-3H-吲哚-5-磺酸溴盐
• 英文名称: 1-(3-ammoniopropyl)-2,3,3-trimethyl-3H-indolium-5-sulfonate
• 英文别名: 1-(3-Azaniumylpropyl)-2,3,3-trimethylindol-1-ium-5-sulfonate；1-(3-azaniumylpropyl)-2,3,3-trimethylindol-1-ium-5-sulfonate
• CAS: 773041-79-5
• 化学式: C₁₄H₂₁N₂O₃S
• 分子量: 297.398
• InChiKey: WOTGQVLQBVRSQP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-丙胺基)-2,3,3-三甲基-3H-吲哚-5-磺酸溴盐 在 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 97.0h， 生成
  参考文献：
  名称：

  Effect of charge localization on the in vivo optical imaging properties of near-infrared cyanine dye/monoclonal antibody conjugates

  摘要：

  氰染料的化学结构上的微小改变可以改变mAb-染料结合物的体内药代动力学。

  DOI：

  10.1039/c6mb00371k
• 作为产物：
  描述：

  2,3,3-trimethyl-3H-indole-5-sulfonate 、 3-溴丙胺氢溴酸盐 以 甲苯 为溶剂， 反应 96.0h， 以50%的产率得到1-(3-丙胺基)-2,3,3-三甲基-3H-吲哚-5-磺酸溴盐
  参考文献：
  名称：

  Effect of charge localization on the in vivo optical imaging properties of near-infrared cyanine dye/monoclonal antibody conjugates

  摘要：

  氰染料的化学结构上的微小改变可以改变mAb-染料结合物的体内药代动力学。

  DOI：

  10.1039/c6mb00371k

文献信息

• Supramolecular Assembly of an Evolved Miniprotein Host and Fluorogenic Guest Pair
  作者：Bi Xu、Xinqi Zhou、Cliff I. Stains

  DOI：10.1021/jacs.5b09494

  日期：2015.11.18

  Small-molecule-induced assembly of defined protein structures could have broad implications for the fabrication of new materials as well as biological signaling pathways. However, the design of new hostguest pairs capable of small-molecule-induced assembly in a biologically relevant context remains a significant challenge. Herein, we report a series of miniprotein hosts, evolved from the tenth type III domain of fibronectin (Fn3), that display remarkable binding affinity toward a red-shifted environment-sensitive merocyanine derivative, termed sI-Pht. Importantly, the consensus binder isolated from directed evolution experiments (6.2.18) forms a higher order assembly in response to addition of sI-Pht, as assessed by analytical ultracentrifugation. sI-Pht-induced assembly of 6.2.18 results in a 570-fold increase in fluorescence compared to free dye. This property enables the direct visualization of hostguest assemblies by fluorescence microscopy. As a demonstration, we show that supramolecular assembly of the 6.2.18-sI-Pht system can be visualized on the surface of living yeast cells. This new hostguest pair provides a tool for the potential development of new materials as well as pathway engineering. In a broader context, this work details a new design paradigm for the discovery of hostguest systems that function in the context of living cells.
• [EN] SULFHYDRYL-REACTIVE, WATER SOLUBLE DYES<br/>[FR] COLORANTS HYDROSOLUBLES, RÉACTIFS AVEC LE SULFHYDRYLE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2008027075A2

  公开（公告）日：2008-03-06

  [EN] The invention relates to novel dye compounds and to methods of joining compounds, such as the dye compounds of the invention, to ulfhydryl-containing compounds.
  [FR] L'invention concerne de nouveaux composés colorants et des procédés de liaison de composés, par exemple les composés colorants selon l'invention, à des composés contenant du sulfhydryle.
• Effect of charge localization on the in vivo optical imaging properties of near-infrared cyanine dye/monoclonal antibody conjugates
  作者：Kazuhide Sato、Alexander P. Gorka、Tadanobu Nagaya、Megan S. Michie、Yuko Nakamura、Roger R. Nani、Vince L. Coble、Olga V. Vasalatiy、Rolf E. Swenson、Peter L. Choyke、Martin J. Schnermann、Hisataka Kobayashi

  DOI：10.1039/c6mb00371k

  日期：——

  Small changes on cyanine dyes to the chemical structure can alter in vivo pharmacokinetics of mAb–dye conjugates.

  氰染料的化学结构上的微小改变可以改变mAb-染料结合物的体内药代动力学。