| Field | Specification |
|---|---|
| Alternative names | NSC-17764 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C21H45N3 |
| Purity | |
| SMILES | |
| Form | Liquid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Hexetidine, also known as NSC-17764, is an orally active antibacterial and antifungal agent with broad antibacterial and antifungal activity. Combined with IPBC, it potentiates strong fungal growth inhibition, and at concentrations greater than 0.1% it can cause oral ulceration. It also improves plaque-inhibiting activity when combined with zinc and has shown effectiveness on purulent wounds when combined with ultrasound, making it a promising candidate for research on fungus-related diseases and soft-tissue purulent inflammation[1][2][3][4][5]. It is supplied as a colorless to light yellow liquid (C21H45N3, MW 339.60) at 98.0% purity.
Physical & Chemical Properties
| CAS Number | 141-94-6 |
|---|---|
| Molecular Formula | C21H45N3 |
| Molecular Weight | 339.60 g/mol |
| Purity | 98.0% |
| Appearance | Liquid |
| Color | Colorless to light yellow |
| Density | 0.889 g/cm3 |
| SMILES | NC1(C)CN(CC(CC)CCCC)CN(CC(CC)CCCC)C1 |
| Signaling Pathway | Anti-infection |
| Solubility | In Vitro: DMSO: 200 mg/mL (588.93 mM; Requires sonication and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) Ethanol: 100 mg/mL (294.46 mM; Requires sonication) |
| Storage | Pure form: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[2]. Dr. Sandhya Gnanasambandam, et al. Role of supra-gingival plaque in the pathophysiology of periodontitis. World Journal of Pharmaceutical Research. 2024 April 12; 13(8): 902-915.
[4]. Ivan S. Dragovoz, et al. Comparative Evaluation of Isolated and Complex Use of Hexetidine and Photoditazine in Combination with Ultrasound Therapy in the Treatment of Purulent Wounds under Experimental Conditions[J]. International Journal of Biomedicine. 2022 March 20; 12(1):138-141
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 200 mg/mL (588.93 mM) | requires sonication and warming and heat to 80°C; use freshly opened DMSO (absorbed moisture lowers solubility) |
| Ethanol | 100 mg/mL (294.46 mM) | requires sonication |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.08 mg/mL (6.12 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.08 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (20.8 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.08 mg/mL (6.12 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.08 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (20.8 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.08 mg/mL (6.12 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.08 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (20.8 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Hexetidine (15 μM, 14 days) maintains strong inhibition of T. virens growth when incorporated into the alginate gel combined with iodopropynyl-butyl-carbamate (IPBC) (250 μg/ml)[1]. Both S. aureus and Ps. aeruginosa are killed at similar rates by Hexetidine (1 mg/ml, 2 h), and no survivors are detectable in either growth phase within 2 h of contact.
Cell Viability Assay[1]
| Cell Line | Human Rhabdomyosarcoma cell lines |
|---|---|
| Concentration | 20 μM |
| Incubation Time | 24 h |
| Result | Did not significantly potentiate the effect of IPBC combined with Trifluoperazine (TFZ) against the human rhabdomyosarcoma cell lines, suggesting that the combinatorial effects were specific to the fungi. |
In Vivo
Hexetidine (0.5 g, p.o., 15-19 days) is significantly more effective on a purulent wound of rats when combined with photoditazine s than either used alone[4].
| Animal Model | Male Wistar rats with a purulent wound[4]. |
|---|---|
| Dosage | 0.5 g |
| Administration | smeared for 15-19 days |
| Result | Showed significantly better results combined with photoditazine in the first and second phases of the course of the wound process than did their isolated use. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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