| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
mAChR M4 (muscarinic acetylcholine receptor M4).
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|---|---|
| ln Vitro |
The acetylcholine (ACh) concentration response curve (CRC) is dose-dependently shifted to the left by VU0152099 (30 µM); the greatest displacement of 30 µM is seen. With an EC50 value of 1.2 µM, VU0152099 dose-dependently increases the reaction to EC20 values of ACh and raises the maximum response to ACh to roughly 130%. The endogenous agonist ACh is enhanced in M4 receptor responses by the strong positive allosteric modulator VU0152099[1].
VU0152099 is a potent positive allosteric modulator that enhances the response of the M4 receptor to the endogenous agonist ACh, with an EC50 of 0.4 µM for rat M4 receptor. It is inactive for other mAChR subtypes or other GPCRs. |
| ln Vivo |
VU0152099 (56.6 mg/kg; intraperitoneal injection; once) reverses the excessive exercise in rats that is caused by amphetamine [1].
In vivo, VU0152099 (56.6 mg/kg; i.p.; once) reverses amphetamine-induced hyperlocomotion in rats, demonstrating its ability to modulate M4 receptor activity in the central nervous system and its potential for treating neuropsychiatric disorders. |
| Enzyme Assay |
The compound's allosteric modulation of M4 receptor is assessed in cell-free membrane preparations using radioligand binding assays to confirm binding to the M4 receptor and determine its mode of modulation.
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| Cell Assay |
VU0152099 is evaluated in cell-based functional assays using cells expressing rat or human M4 receptors. The compound's ability to potentiate acetylcholine-induced responses is measured, with an EC50 of 0.4 µM for rat M4 and 1.2 µM for human M4.
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| Animal Protocol |
Animal/Disease Models: Male SD (SD (Sprague-Dawley)) rats (270-300 g) were injected with amphetamine [1]
Doses: 56.6 mg/kg Route of Administration: intraperitoneal (ip) injection; Experimental Results:Reversal of amphetamine-induced excessive movement in rats . In vivo studies are conducted in rats to assess the compound's ability to reverse amphetamine-induced hyperlocomotion. VU0152099 is administered intraperitoneally at 56.6 mg/kg, and locomotor activity is measured to evaluate the compound's CNS activity. |
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available for VU0152099. As a brain-penetrant compound, it is expected to cross the blood-brain barrier, but specific PK parameters have not been reported.
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| Toxicity/Toxicokinetics |
No detailed toxicological data is available for this compound. As a research-grade chemical probe, standard preclinical toxicity assessments have not been published.
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| References | |
| Additional Infomation |
VU0152099 has a molecular formula of C18H17N3O3S. The compound is a potent, selective, and brain-penetrant mAChR M4 positive allosteric modulator that is inactive for other mAChR subtypes or other GPCRs. It has not advanced to clinical trials and is not FDA-approved.
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| Molecular Formula |
C18H17N3O3S
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|---|---|
| Molecular Weight |
355.410882711411
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| Exact Mass |
355.099
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| CAS # |
612514-42-8
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| PubChem CID |
1541501
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| Appearance |
Solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
622.9±55.0 °C at 760 mmHg
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| Flash Point |
330.5±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.708
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| LogP |
4.32
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
508
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)C
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| InChi Key |
AZOGCTMOKNTHIU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
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| Chemical Name |
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~12.5 mg/mL (~35.17 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.52 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 12.5 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: ≥ 1.25 mg/mL (3.52 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 12.5 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 | 2.8137 mL | 14.0683 mL | 28.1365 mL | |
| 5 mM | 0.5627 mL | 2.8137 mL | 5.6273 mL | |
| 10 mM | 0.2814 mL | 1.4068 mL | 2.8137 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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