| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C9H20N2O5S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
HEPPSO is a zwitterionic Good's buffer suitable for physiological pH conditions. It forms high-order oligomers in aqueous solution and can form a 1:1 complex with Cu2+ through its hydroxyalkyl and tertiary amine groups. However, it contains a structurally similar trace impurity that lacks an alkanesulfonic acid side chain; the complex this impurity forms with Cu2+ has a very low Ka, so HEPPSO may interfere with copper speciation analysis in natural water bodies[1][2]. It is supplied as a white to off-white solid (C9H20N2O5S, MW 268.33) at 99.95% purity.
Physical & Chemical Properties
| CAS Number | 68399-78-0 |
|---|---|
| Molecular Formula | C9H20N2O5S |
| Molecular Weight | 268.33 g/mol |
| Purity | 99.95% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=S(CC(O)CN1CCN(CCO)CC1)(O)=O |
| Solubility | In Vitro: H2O: 116.67 mg/mL (434.80 mM; Requires sonication) DMSO: 100 mg/mL (372.68 mM; Requires sonication and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| 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.
[1]. Roy R N, Roy L N, Denton C E, et al. Buffer Standards for the Physiological pH of the Zwitterionic Compound, HEPPSO from 5 to 55° C[J]. Journal of solution chemistry, 2009, 38(11): 1417-1431.
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 |
|---|---|---|
| H2O | 116.67 mg/mL (434.80 mM) | requires sonication |
| DMSO | 100 mg/mL (372.68 mM) | requires sonication and warming and heat to 60°C; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
If water is used as the stock solvent, dilute to the working solution and sterilize it through a 0.22 μm filter before use.
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 | ≥ 4.17 mg/mL (15.54 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 4.17 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (41.7 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 | ≥ 4.17 mg/mL (15.54 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 4.17 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (41.7 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 | ≥ 4.17 mg/mL (15.54 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 4.17 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 (41.7 mg/mL) to 900 μL corn oil. |
Protocol 4
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (9.32 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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 5
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (9.32 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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 6
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (9.32 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 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 (25.0 mg/mL) to 900 μL corn oil. |
Direct preparation of the working solution
These formulations are prepared directly, without a DMSO stock; use them promptly after preparation.
Protocol 7
| Composition | PBS |
|---|---|
| Result | 110 mg/mL (409.94 mM); clear solution; requires sonication |
Data provided by the manufacturer.
In Vitro
In cell-free aqueous potentiometric titrations at pH 7.2 and 25 °C, HEPPSO (35 mM) shows two modes of copper binding: weak direct binding with a log Kc of 2.05, and strong binding by a trace impurity with a log Kc of 7.68[2]. Cell-free aqueous mass spectroscopy analysis shows that HEPPSO forms several self-associated oligomers and detects no strong copper-binding impurity (such as the m/z 131.1 species found in HEPES)[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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