Physicochemical Properties
| Molecular Formula | C36H60CLN5O7 |
| Molecular Weight | 710.343909263611 |
| Exact Mass | 709.418 |
| CAS # | 1010076-97-7 |
| PubChem CID | 136212472 |
| Appearance | Brown to reddish brown solid powder |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 29 |
| Heavy Atom Count | 49 |
| Complexity | 923 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [Cl-].O(C(CCCCCNC1=CC=C(C2C1=NON=2)[N+](=O)[O-])=O)C(COC(CCCCCCC/C=C\CCCCCCCC)=O)C[N+](C)(C)C |
| InChi Key | XDKRQAPVOCOOGF-USGGBSEESA-M |
| InChi Code | InChI=1S/C36H60N5O7.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33(42)46-29-30(28-41(2,3)4)47-34(43)24-21-19-22-27-37-31-25-26-32(40(44)45)36-35(31)38-48-39-36;/h12-13,25-26,30,37H,5-11,14-24,27-29H2,1-4H3;1H/q+1;/p-1/b13-12-; |
| Chemical Name | trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl]azanium;chloride |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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]. DOTAP (and other cationic lipids): chemistry, biophysics, and transfection. Crit Rev Ther Drug Carrier Syst. 2004;21(4):257-317. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~20 mg/mL (~28.16 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (2.82 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 20.0 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4078 mL | 7.0389 mL | 14.0778 mL | |
| 5 mM | 0.2816 mL | 1.4078 mL | 2.8156 mL | |
| 10 mM | 0.1408 mL | 0.7039 mL | 1.4078 mL |