Physicochemical Properties
| Molecular Formula | C39H73NO2 |
| Molecular Weight | 588.00 |
| Exact Mass | 587.564 |
| CAS # | 1450888-71-7 |
| Related CAS # | Genevant CL1 monohydrochloride |
| PubChem CID | 89775021 |
| Appearance | Colorless to light yellow liquid |
| LogP | 13.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 32 |
| Heavy Atom Count | 42 |
| Complexity | 625 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCC/C=C\CCCC(C(OC(=O)CCCCN(C)C)CCC/C=C\CCCCC)CCC/C=C\CCCCC |
| InChi Key | ARJCMRWHZPDQJG-ASSJVFBPSA-N |
| InChi Code | InChI=1S/C39H73NO2/c1-6-9-12-15-18-21-24-27-32-37(33-28-25-22-19-16-13-10-7-2)38(34-29-26-23-20-17-14-11-8-3)42-39(41)35-30-31-36-40(4)5/h18-23,37-38H,6-17,24-36H2,1-5H3/b21-18-,22-19-,23-20- |
| Chemical Name | [(6Z,16Z)-12-[(Z)-dec-4-enyl]docosa-6,16-dien-11-yl] 5-(dimethylamino)pentanoate |
| Synonyms | GENEVANT CL1 |
| 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 |
Michael D Buschmann, et al. Nanomaterial Delivery Systems for mRNA Vaccines. Vaccines (Basel). 2021 Jan 19;9(1):65. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~170.07 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.25 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 (4.25 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (4.25 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 | 1.7007 mL | 8.5034 mL | 17.0068 mL | |
| 5 mM | 0.3401 mL | 1.7007 mL | 3.4014 mL | |
| 10 mM | 0.1701 mL | 0.8503 mL | 1.7007 mL |