Physicochemical Properties
| Molecular Formula | C23H23IN2 |
| Molecular Weight | 454.3466 |
| Exact Mass | 454.091 |
| CAS # | 977-96-8 |
| Related CAS # | 20766-49-8 (Parent) |
| PubChem CID | 5484462 |
| Appearance | Brown to dark brown solid powder |
| Melting Point | 273ºC |
| LogP | 1.235 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 26 |
| Complexity | 464 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-] |
| InChi Key | GMYRVMSXMHEDTL-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1 |
| Chemical Name | (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide |
| 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: Please store this product in a sealed and protected environment, 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]. Comparative analysis of novel decynium-22 analogs to inhibit transport by the low-affinity, high-capacity monoamine transporters, organic cation transporters 2 and 3, and plasma membrane monoamine transporter. Eur J Pharmacol. 2019 Jan 5;842:351-364. |
| Additional Infomation | 1,1'-diethyl-2,2'-cyanine iodide is a 1,1'-diethyl-2,2'-cyanine halide and an organic iodide salt. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~55.02 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.50 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 | 2.2009 mL | 11.0047 mL | 22.0095 mL | |
| 5 mM | 0.4402 mL | 2.2009 mL | 4.4019 mL | |
| 10 mM | 0.2201 mL | 1.1005 mL | 2.2009 mL |