| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
MAO-A 0.004 ± 0. μM (IC50) 5-HT2A Receptor 0.014 μM (IC50) MAO-B 1.05 ± 0.0 μM (IC50)
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|---|---|
| ln Vitro |
Compound I14, MAO-A/5-HT2AR-IN-1, has a noteworthy neurocytoprotective impact on the CORT-induced cell depression model at concentrations of 0–4 μM over a 24-hour period [1]. The active cavity of 5-HT2AR and MAO-A can be occupied by MAO-A/5-HT2AR-IN -1 through the use of numerous hydrogen bonding forces and π–π stacking interaction[1]. With regard to L02 cells (IC50 > 100 μM), SH-SY5Y (IC50 > 10 μM), and PC12 (IC50 > 10 μM), MAO-A/5-HT2AR-IN-1 shows minimal proliferation inhibitory actions, suggesting a good safety profile[1].
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| ln Vivo |
MAO-A/5-HT2AR-IN-1 (compound I14) at 10 and 20 mg/kg, dramatically improves mice's depressive-like behavior[1]. For seven days, MAO-A/5-HT2AR-IN-1 (0–1 μM) enhances the depression-like behavior and zebrafish locomotion[1]. The expression of 5-HT2AR in mouse brain tissue can be decreased and hippocampus neuronal cell injury can be repaired by MAO-A/5-HT2AR-IN-1[1]. A good clearance rate of 345.69 mL/min/kg has been reported for MAO-A/5-HT2AR-IN-1 in rats (2 mg/kg (iv) 10 mg/kg (ig); once)[1].
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| Cell Assay |
Cell Types: PC12 cells
Tested Concentrations: 4.0, 2.0, 1.0, and 0.5 μM (and 500 μM CORT) Incubation Duration: 24 h Experimental Results: demonstrated a significant protective effect on PC12 cells injury at different concentrations compared with the model group, where the best protective effect was observed at 0.5 μM . |
| Animal Protocol |
Animal/Disease Models: ICR male mice (8−10 weeks old, weight 18-20 g)[1]
Doses: 10 mg/kg, 20 mg/kg Route of Administration: For 2 weeks Experimental Results: Dramatically improved depression-like behavior in mice, with the low dose group (10 mg/kg) being more potent than with the positive drug (Flu, 20 mg/kg). Had no relevant toxic effects on the liver, kidney, lung, and spleen of mice during the treatment period. Animal/Disease Models: Zebrafish (AB strain, Reserpine-induced zebrafish depression model)[1] Doses: 0.1, 0.5, 1 μM Route of Administration: Given 24 h after reserpine, for 7 days. Experimental Results: demonstrated that zebrafish in the I14 administered group moved Dramatically more distance, faster, and spent Dramatically more time in the upper part compared to the model group. Animal/Disease Models: SD (Sprague-Dawley) rats (male)[1] Doses: 2 mg/kg (iv) 10 mg/kg (ig) Route of Administration: IV, IG; once (pharmacokinetic/PK Analysis) Experimental Results: pharmacokinetic/PK Parameters of MAO-A/5-HT2AR-IN-1 in male SD (Sprague-Dawley) rats[1]. parameter 2 mg/kg (iv) 10 mg /kg (ig) Tm |
| References |
| Molecular Formula |
C30H28FN3O2
|
|---|---|
| Molecular Weight |
481.56
|
| Exact Mass |
481.216
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| CAS # |
2769156-00-3
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| PubChem CID |
165413027
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
5.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
36
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| Complexity |
744
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C2=CC=CC=C2C2N=CC=C3C=C(C=C1C=23)OCCCCN1CCN(C2C=CC=CC=2F)CC1
|
| InChi Key |
GWRCLKVKZRBZJA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H28FN3O2/c31-26-9-3-4-10-27(26)34-16-14-33(15-17-34)13-5-6-18-36-22-19-21-11-12-32-29-23-7-1-2-8-24(23)30(35)25(20-22)28(21)29/h1-4,7-12,19-20H,5-6,13-18H2
|
| Chemical Name |
11-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: ~20 mg/mL (~41.5 mM; with ultrasonication)
DMF: ~1 mg/mL (~2.1 mM; with ultrasonication and warming by heating to 60°C) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (4.15 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 DMSO stock solution (20.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 mg/mL (4.15 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 DMSO stock solution (20.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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: 0.5 mg/mL (1.04 mM) in 10% DMF + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. View More
Solubility in Formulation 4: 0.5 mg/mL (1.04 mM) in 10% DMF + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0766 mL | 10.3829 mL | 20.7658 mL | |
| 5 mM | 0.4153 mL | 2.0766 mL | 4.1532 mL | |
| 10 mM | 0.2077 mL | 1.0383 mL | 2.0766 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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