Interaction Scheme

Molecule

Untitled
Cyclic sulfenamide-2a

c = 1500.0 µM

Host

Cb7
CB7

c = 5000.0 µM

Indicator

Untitled
Cadaverine

c = 0.0 — 15000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.00⋅105 M-1
Kd >
logKa > 5.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG < -28.54 -6.82
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 340.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 2.9
Please find here information about the dataset this interaction is part of.
Citation:

W. Nau, N. Saleh, A. Koner, SupraBank 2022, Activation and Stabilization of Drugs by Supramolecular pKaShifts: Drug‐Delivery Applications Tailored for Cucurbiturils (dataset). https://doi.org/10.34804/supra.20210928230

Link: https://doi.org/10.34804/supra.20210928230
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Saleh, A. L. Koner, W. M. Nau, Angew. Chem. Int. Ed. 2008, 47, 5398–5401.

Link: https://doi.org/10.1002/anie.200801054
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Cyclic sulfenamide-2a (0.0002 M) and CB7 (0 — 0.0004 M).