| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
mGlu3 (metabotropic glutamate receptor 3).
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|---|---|
| ln Vitro |
ML289 (VU0463597) is a metabotropic glutamate receptor 3 (mGlu3) negative allosteric modulator probe that is permeable to the central nervous system [1].
VU0463597 is a potent, selective, and CNS-penetrant negative allosteric modulator of mGlu3 with an IC50 of 0.66 μM. It shows >15-fold selectivity over mGlu2 and is inactive against mGlu5. |
| ln Vivo |
No detailed in vivo activity data is available for this compound. As a CNS-penetrant mGlu3 NAM, it is expected to have activity in neurological and psychiatric disease models, but specific in vivo efficacy studies have not been reported.
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| Enzyme Assay |
The compound's modulation of mGlu3 is assessed in cell-free membrane preparations using radioligand binding assays to confirm binding to the mGlu3 receptor and determine its mode of negative allosteric modulation.
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| Cell Assay |
VU0463597 is evaluated in cell-based functional assays using cells expressing recombinant mGlu3, mGlu2, and mGlu5 receptors. Calcium mobilization or other second messenger assays measure the compound's ability to inhibit glutamate-induced receptor activation, confirming its potency and selectivity.
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| Animal Protocol |
No detailed in vivo animal experimental protocol is available for this compound. For mGlu3 NAMs, typical in vivo studies involve rodent models of neurological and psychiatric disorders to assess CNS activity.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available for VU0463597. As a CNS-penetrant compound, it crosses 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 |
VU0463597 has a molecular formula of C22H23NO3 and a molecular weight of 349.42. The compound is a potent, selective, and CNS-penetrant negative allosteric modulator of mGlu3, a Group II GPCR implicated in numerous neurological and psychiatric disorders. It has not advanced to clinical trials and is not FDA-approved.
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| Molecular Formula |
C22H23NO3
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|---|---|
| Molecular Weight |
349.422926187515
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| Exact Mass |
349.167
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| Elemental Analysis |
C, 75.62; H, 6.63; N, 4.01; O, 13.74
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| CAS # |
1382481-79-9
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| PubChem CID |
56587994
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
557.0±35.0 °C at 760 mmHg
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| Flash Point |
290.7±25.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.628
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
518
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC1=CC=C(C#CC2=CC=C(C=C2)C(=O)N3CCC[C@H](C3)CO)C=C1
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| InChi Key |
VSLWUPHHCFQTDB-LJQANCHMSA-N
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| InChi Code |
InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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| Chemical Name |
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
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| Synonyms |
VU0463597, VU 0463597, VU-0463597, ML-289, ML 289; ML289;
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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 : ~250 mg/mL (~715.47 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.95 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 (5.95 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8619 mL | 14.3094 mL | 28.6189 mL | |
| 5 mM | 0.5724 mL | 2.8619 mL | 5.7238 mL | |
| 10 mM | 0.2862 mL | 1.4309 mL | 2.8619 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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