Physicochemical Properties
| Molecular Formula | C14H17IN2 |
| Molecular Weight | 340.20 |
| Exact Mass | 340.044 |
| CAS # | 1141-41-9 |
| PubChem CID | 13227270 |
| Appearance | Yellow to orange solid powder |
| Melting Point | 180-182 °C |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 17 |
| Complexity | 199 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | CAMWVBRDIKKGII-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C14H17N2.HI/c1-15(2)14-6-4-12(5-7-14)13-8-10-16(3)11-9-13;/h4-11H,1-3H3;1H/q+1;/p-1 |
| Chemical Name | N,N-dimethyl-4-(1-methylpyridin-1-ium-4-yl)aniline;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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| ln Vitro | IDT307, which is transported into the apical membrane (CSF-facing) of CP epithelial cells, is an analog of the organic cationic MPP+ and is susceptible to inhibition by quinine, a PMAT inhibitor [1]. Pmat knockout mice's CP tissues showed a significant 70% reduction in IDT307 uptake and intracellular accumulation [1]. |
| References |
[1]. Molecular mechanisms of organic cation and anion transport at the blood‐CSF barrier. 01 April 2018. |
Solubility Data
| Solubility (In Vitro) | DMSO: 62.5 mg/mL (183.72 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.11 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 (6.11 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9394 mL | 14.6972 mL | 29.3945 mL | |
| 5 mM | 0.5879 mL | 2.9394 mL | 5.8789 mL | |
| 10 mM | 0.2939 mL | 1.4697 mL | 2.9394 mL |