| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| Other Sizes |
Purity: ≥98%
| Targets |
ML352 targets the presynaptic choline transporter (CHT, SLC5A7), which is responsible for the high-affinity uptake of choline into cholinergic neurons for acetylcholine synthesis. It inhibits non-competitive choline uptake and reduces the apparent density of hemicholinium-3 (HC-3) binding sites, indicating allosteric transporter interactions.
|
|---|---|
| ln Vitro |
In vitro, ML352 exhibits noncompetitive choline uptake inhibition in intact cells and reduces the apparent density of hemicholinium-3 binding sites in membrane assays. At concentrations that fully antagonize CHT in transfected cells and nerve terminal preparations, it shows potent and selective inhibition of choline uptake. It has a Ki of 92 nM in HEK293 cells expressing human CHT.
|
| ln Vivo |
In vivo, ML352 is used as a pharmacological tool to study cholinergic neurotransmission. It is a noncompetitive inhibitor of the presynaptic choline transporter. Specific in vivo efficacy data for animal models are limited in the available literature, but it has been used in synaptosomal preparations to study choline uptake inhibition.
|
| Enzyme Assay |
Choline uptake inhibition assays are performed using HEK293 cells expressing human CHT or mouse forebrain synaptosomes. Cells or synaptosomes are incubated with [³H]-choline in the presence of ML352 at various concentrations. After incubation, [³H]-choline uptake is measured by scintillation counting. Ki values are calculated from dose-response curves. Hemicholinium-3 binding assays use [³H]-HC-3.
|
| Cell Assay |
HEK293 cells transfected with human CHT are cultured in appropriate media. Cells are seeded in multi-well plates and incubated with [³H]-choline and ML352 at various concentrations for a specified time. Uptake is stopped by washing with ice-cold buffer, and cells are lysed for scintillation counting. IC₅₀/Ki values are determined from inhibition curves.
|
| Animal Protocol |
Mouse forebrain synaptosomes are prepared by homogenization and differential centrifugation. Synaptosomes are incubated with [³H]-choline and ML352 at various concentrations. Choline uptake is measured by filtration and scintillation counting. In vivo effects on cholinergic neurotransmission are studied in rodent models using behavioral or electrophysiological endpoints.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic parameters of ML352 are not extensively documented in the available literature. As a small molecule tool compound, its properties are optimized for in vitro use. For in vivo applications, formulation in appropriate vehicles (e.g., DMSO, saline) is required.
|
| Toxicity/Toxicokinetics |
Specific toxicity data for ML352 are not extensively documented. As a research tool compound, its toxicity profile has not been extensively characterized beyond its use in in vitro and limited in vivo studies. Standard laboratory safety precautions should be followed when handling this compound.
|
| References |
: Bertron JL, Ennis EA, Tarr CJ, Wright J, Dickerson JW, Locuson CW, Blobaum AL, Rook JM, Blakely RD, Lindsley CW. Optimization of the choline transporter (CHT) inhibitor ML352: Development of VU6001221, an improved in vivo tool compound. Bioorg Med Chem Lett. 2016 Oct 1;26(19):4637-4640. doi: 10.1016/j.bmcl.2016.08.062. Epub 2016 Aug 21. PubMed PMID: 27575469.
|
| Additional Infomation |
Inhibits presynaptic cholinergic transporters; structure located at first source
ML352 is a research tool compound used to study the presynaptic choline transporter and cholinergic neurotransmission. It is commercially available for research use only. Its noncompetitive mechanism of action and allosteric inhibition of CHT make it valuable for investigating choline uptake mechanisms and cholinergic function in neurological and psychiatric disorders. |
| Molecular Formula |
C21H29N3O4
|
|---|---|
| Molecular Weight |
387.48
|
| Exact Mass |
387.215
|
| CAS # |
1649450-12-3
|
| Related CAS # |
1649450-12-3
|
| PubChem CID |
70679283
|
| Appearance |
White to light yellow solid-liquid Mixture
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
538.1±50.0 °C at 760 mmHg
|
| Flash Point |
279.2±30.1 °C
|
| Vapour Pressure |
0.0±1.4 mmHg at 25°C
|
| Index of Refraction |
1.546
|
| LogP |
2.23
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
28
|
| Complexity |
496
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C1=NOC(CNC(C2=CC(OC3CCN(CC3)C)=C(OC)C=C2)=O)=C1)C
|
| InChi Key |
WBLVOWHFRUAMCP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
|
| Chemical Name |
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
|
| Synonyms |
ML352 ML-352 ML 352 VU0476201 VU-0476201 VU 0476201 VU0476328 VU-0476328 VU 0476328
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~645.21 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5808 mL | 12.9039 mL | 25.8078 mL | |
| 5 mM | 0.5162 mL | 2.5808 mL | 5.1616 mL | |
| 10 mM | 0.2581 mL | 1.2904 mL | 2.5808 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA