Interaction Scheme
Molecule
1,6-Hexanediamine
c = 500.0 µM
Host
Tetrahydropyridazinophthalazine-tetraone-CB6
c = 500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 630.0 | ± 40.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 22.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.82 | ± 0.16 | -3.78 | ± 0.04 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
| = | 0.2 ppm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 50 mM acetate pH-4.74 |
| Solvents | water | 100.0 % |
| Additives | acetic acid | 25.3 mM |
| Sodium acetate | 24.7 mM | |
| Source of Concentration | ||
| Total concentration | 50.0 mM | |
| pH | 4.74 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Isaacs, J. Lagona, B. D. Wagner, SupraBank 2025, Molecular-Recognition Properties of a Water-Soluble Cucurbit[6]uril Analogue (dataset). https://doi.org/10.34804/supra.20210928192 |
| Link: | https://doi.org/10.34804/supra.20210928192 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Lagona, B. D. Wagner, L. Isaacs, J. Org. Chem. 2006, 71, 1181–1190. |
| Link: | https://doi.org/10.1021/jo052294i |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,6-Hexanediamine (0.031746031746031744 M) and Tetrahydropyridazinophthalazine-tetraone-CB6 (0 — 0.06349206349206349 M).
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