Physicochemical Properties
| Molecular Formula | C25H29CLF2N4O5 |
| Molecular Weight | 538.9768 |
| Exact Mass | 538.18 |
| Elemental Analysis | C, 55.71; H, 5.42; Cl, 6.58; F, 7.05; N, 10.40; O, 14.84 |
| CAS # | 208109-39-1 |
| Related CAS # | F 13714; 208109-38-0 |
| PubChem CID | 9958888 |
| Appearance | Solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 37 |
| Complexity | 666 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC1=C(N=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F)NC.C(=C/C(=O)O)\C(=O)O |
| InChi Key | HZJWIYFEDQNBEU-WLHGVMLRSA-N |
| InChi Code | InChI=1S/C21H25ClF2N4O.C4H4O4/c1-14-3-5-16(27-19(14)25-2)12-26-13-21(24)7-9-28(10-8-21)20(29)15-4-6-18(23)17(22)11-15;5-3(6)1-2-4(7)8/h3-6,11,26H,7-10,12-13H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| Chemical Name | (E)-but-2-enedioic acid;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-methyl-6-(methylamino)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone |
| Synonyms | F-13714; F13714; F-14679; F 14679; F14679; F13714 fumarate; F 13714 |
| 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
| Targets | 5-HT1A Receptor |
| ln Vitro | F13714 is directed towards 5-HT1A autoreceptors [1]. |
| ln Vivo |
F13714 (4–16 mg/kg) can robustly normalize depressive-like behavior in the forced swim test (FST) in UCMS mice after just one administration. F13714 does not affect p-CREB levels, but it does rescue deficits in p-ERK1/2 levels in the cortex and hippocampus[1]. F13714 reduces immobility in mice by 30.3% and 19.5%, respectively at the doses 2 and 4 mg/kg[1]. F13714 (0.5-2 mg/kg) administered alone during a 2-hour measurement significantly and dose-dependently lowers rectal body temperature in mice[1]. F13714 (2.5 mg/kg) exhibits properties similar to those of anxiolytics and antidepressants in naïve rats[1]. |
| References |
[1]. The selective 5-HT 1A receptor biased agonists, F15599 and F13714, show antidepressant-like properties after a single administration in the mouse model of unpredictable chronic mild stress. Psychopharmacology (Berl). 2021 May 10. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~250 mg/mL (~463.9 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.64 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 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 2: ≥ 2.5 mg/mL (4.64 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 | 1.8554 mL | 9.2768 mL | 18.5536 mL | |
| 5 mM | 0.3711 mL | 1.8554 mL | 3.7107 mL | |
| 10 mM | 0.1855 mL | 0.9277 mL | 1.8554 mL |