Physicochemical Properties
| Molecular Formula | C26H40N2O18 |
| Molecular Weight | 668.5984 |
| Exact Mass | 668.228 |
| CAS # | 99590-86-0 |
| PubChem CID | 121907 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.303g/cm3 |
| Boiling Point | 664.2ºC at 760 mmHg |
| Flash Point | 355.5ºC |
| Index of Refraction | 1.487 |
| LogP | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 33 |
| Heavy Atom Count | 46 |
| Complexity | 857 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(OCOC(C)=O)CN(CC(OCOC(C)=O)=O)CCOCCOCCN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O |
| InChi Key | GNJXVFXIDHCCKR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C26H40N2O18/c1-19(29)39-15-43-23(33)11-27(12-24(34)44-16-40-20(2)30)5-7-37-9-10-38-8-6-28(13-25(35)45-17-41-21(3)31)14-26(36)46-18-42-22(4)32/h5-18H2,1-4H3 |
| Chemical Name | acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Only synchronous excitatory postsynaptic currents (EPSCs) are reduced by EGTA-AM (50 μM) to measure train-generated charge transfer; asynchronous EPSCs are significantly reduced to 58.9 ± 8.1% of control levels [1]. |
| References |
[1]. Cholinergic and glutamatergic transmission at synapses between pedunculopotine tegmental nucleus axonal terminals and A7 catecholamine cell group noradrenergic neurons in the rat. Neuropharmacology. 2016 Nov;110(Pt A):237-50. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~149.57 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (3.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4957 mL | 7.4783 mL | 14.9566 mL | |
| 5 mM | 0.2991 mL | 1.4957 mL | 2.9913 mL | |
| 10 mM | 0.1496 mL | 0.7478 mL | 1.4957 mL |