Physicochemical Properties
| Molecular Formula | C100H176N4O10 |
| Molecular Weight | 1594.48827171326 |
| Exact Mass | 1594.342 |
| CAS # | 2383003-60-7 |
| PubChem CID | 168006879 |
| Appearance | Colorless to light yellow viscous liquid |
| LogP | 30.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 90 |
| Heavy Atom Count | 114 |
| Complexity | 2160 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCN(CCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCC[C@@H]1NC(=O)[C@@H](NC1=O)CCCCN(CCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChi Key | ZQXDXCNSODVUPG-ACIWIILCSA-N |
| InChi Code | InChI=1S/C100H176N4O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-79-95(105)111-89-73-69-85-103(86-70-74-90-112-96(106)80-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)83-67-65-77-93-99(109)102-94(100(110)101-93)78-66-68-84-104(87-71-75-91-113-97(107)81-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-72-76-92-114-98(108)82-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h21-28,33-40,93-94H,5-20,29-32,41-92H2,1-4H3,(H,101,110)(H,102,109)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t93-,94-/m0/s1 |
| Chemical Name | 4-[4-[(2S,5S)-5-[4-[bis[4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybutyl]amino]butyl]-3,6-dioxopiperazin-2-yl]butyl-[4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybutyl]amino]butyl (9Z,12Z)-octadeca-9,12-dienoate |
| 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]. Customizable Lipid Nanoparticle Materials for the Delivery of siRNAs and mRNAs. Angew Chem Int Ed Engl. 2018 Oct 8;57(41):13582-13586. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (62.72 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.57 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.6272 mL | 3.1358 mL | 6.2716 mL | |
| 5 mM | 0.1254 mL | 0.6272 mL | 1.2543 mL | |
| 10 mM | 0.0627 mL | 0.3136 mL | 0.6272 mL |