Interaction

curated

Interaction Scheme

Molecule

Untitled
2,3-Diazabicyclo(2.2.2)oct-2-ene

c = 2000.0 µM

Host

Cb7
CB7

c = 0.0 — 3000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.00⋅106 M-1
Kd >
logKa > 6.0 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG < -34.25 ± NaN -8.19 ± NaN
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 357.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 5.0
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, A. L. Koner, C. Márquez, M. H. Dickman, SupraBank 2024, Transition-Metal-Promoted Chemoselective Photoreactions at the Cucurbituril Rim (dataset). https://doi.org/10.34804/supra.20210928253

Link: https://doi.org/10.34804/supra.20210928253
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. L. Koner, C. Márquez, M. H. Dickman, W. M. Nau, Angew. Chem. Int. Ed. 2010, 50, 545–548.

Link: https://doi.org/10.1002/anie.201005317
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-Diazabicyclo(2.2.2)oct-2-ene (2.0e-05 M) and CB7 (0 — 4.0e-05 M).