| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
Vabicaserin, with a Ki value of 3 nM, is more selective than many serotonins and has 50 times stronger receptors for noradrenergic and dopaminergic medicines than 125I-(2,5-dimethoxy)phenylisopropylamine at the human 5-HT2C receptor site in the cell membrane of Chinese hamster ovary. Using [3H]5HT, it was found that the binding affinity for the human 5-HT2B receptor subtype was 14 nM. Depending on the amount of receptor expression in transfected cells, vabicaserin can exhibit 5-HT2A receptor antagonism, 5-HT2B antagonist, or partial agonist action. It is a powerful full agonist (EC50, 8 nM; Emax, 100%) that increases 5-HT2C receptor-coupled calcium mobilization. Vabicaserin binds to the 5-HT2C antagonist binding site (22 nM) with modest affinity at the [3H]mesulergine-labeled site. Further studies on binding have demonstrated that vabicaserin binds to the 5-HT2B and 5-HT1A receptors with an affinity of 14 and 112 nM, respectively [1].
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| ln Vivo |
Less than 19% of the total plasma radioactivity in mice, rats, and dogs was accounted for by unchanged drug following single oral doses of 50, 5, and 15 mg/kg [14C]Vabicaserin at all time periods analyzed. 20% and 35% correspondingly. Rat plasma does not contain carbamoylglucuronide (CG) following a single [14C]Vabicaserin dosage, however it does contribute for roughly 7% to 36% of radioactivity in mouse plasma and roughly 2% to 28% in dog plasma. found. Nevertheless, following successive doses of vabicaserin at larger doses, CG was detected in rat plasma; based on steady-state AUC0-24 values, it was roughly 20 times lower than vabicaserin. Following a single [14C]Vabicaserin dosage, the estimated plasma AUC0–24 ratio of CG to parent drug was 1.5 in mice and 1.7 in dogs, respectively. The steady state plasma AUC0-24 ratios for CG and varbcaserin at the doses employed for safety assessment were slightly greater (1.8-4.0) in dogs and lower (0.2-0.6) in humans when compared to single-dose values. While CG was not found in mouse or rat urine following a single [14C]Vabicaserin dosage, it was found in dog urine at amounts comparable to those of the parent medication. Rats given 5 mg/kg [14C]Vabicaserin had radioactivity in their bile collections that represented 19% and 24% of the dose given to the males and females, respectively, from 0 to 24 hours. CG accounted for an average of up to 30% of the bile radioactivity in male rats and an average of up to 15% in female rats, despite the fact that it was not found in the urine or feces of rats following a single oral dosage. In monkeys given a single oral dose of 25 mg/kg vabicaserin, CG decreased from 2 to 24 hours post-dosing; however, during 24 hours, the amount of CG decreased in comparison to vabicaserin. The concentrations of plasma were higher than those of vabikaserin. The ratio was 17.5 at two hours and 1.7 at twenty-four hours after dosage. The primary metabolite in monkeys is CG, as evidenced by the 12:1 ratio of CG to vabicaserin AUC0-24 [2].
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| References |
| Molecular Formula |
C15H21CLN2
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|---|---|
| Molecular Weight |
264.793642759323
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| Exact Mass |
264.139
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| CAS # |
887258-94-8
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| Related CAS # |
887258-95-9;887258-94-8 (HCl);
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| PubChem CID |
11521821
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
18
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| Complexity |
291
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C12C=CC=C3C=1N(CCNC3)C[C@@H]1CCC[C@@H]12.Cl
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| InChi Key |
PYPPENBDXAWXJC-QNTKWALQSA-N
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| InChi Code |
InChI=1S/C15H20N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1,3,6,12-13,16H,2,4-5,7-10H2;1H/t12-,13-;/m0./s1
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| Chemical Name |
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
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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 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)
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| Solubility (In Vitro) |
DMSO : ~60 mg/mL (~226.59 mM)
H2O : ~4 mg/mL (~15.11 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.44 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.44 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (9.44 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 5 mg/mL (18.88 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.7766 mL | 18.8829 mL | 37.7658 mL | |
| 5 mM | 0.7553 mL | 3.7766 mL | 7.5532 mL | |
| 10 mM | 0.3777 mL | 1.8883 mL | 3.7766 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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