Physicochemical Properties
| Molecular Formula | C26H44N2O13 |
| Molecular Weight | 592.633169174194 |
| Exact Mass | 592.284 |
| CAS # | 1334177-86-4 |
| PubChem CID | 51340955 |
| Appearance | Colorless to off-white solid-liquid Mixture |
| LogP | -1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 30 |
| Heavy Atom Count | 41 |
| Complexity | 733 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ARKUDJPBDMAVBL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C26H44N2O13/c29-23(3-6-28-24(30)1-2-25(28)31)27-5-8-35-10-12-37-14-16-39-18-20-41-22-21-40-19-17-38-15-13-36-11-9-34-7-4-26(32)33/h1-2H,3-22H2,(H,27,29)(H,32,33) |
| Chemical Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| 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 |
| 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
| References |
[1]. PDD Compounds. Patent. US2018339985. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~421.85 mM) Ethanol : ~100 mg/mL (~168.74 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.51 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 20.8 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: ≥ 2.08 mg/mL (3.51 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 20.8 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: ≥ 2.08 mg/mL (3.51 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 20.8 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 | 1.6874 mL | 8.4370 mL | 16.8739 mL | |
| 5 mM | 0.3375 mL | 1.6874 mL | 3.3748 mL | |
| 10 mM | 0.1687 mL | 0.8437 mL | 1.6874 mL |