| 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 |
| Targets |
sigma-2 receptor (primary), with additional affinity for sigma-1 receptor, dopamine transporter (DAT), and serotonin transporter (SERT). CM398 is a selective sigma-2 receptor ligand with Ki values of 0.43 nM for sigma-2 and 1000-fold selectivity over sigma-1.
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|---|---|
| ln Vitro |
CM398 binds sigma-2 receptors with Ki = 0.43 nM. It also shows significant affinity for dopamine transporter (Ki = 32.90 nM) and serotonin transporter (Ki = 244.2 nM). This multi-target profile suggests potential for investigating the role of sigma-2 receptors in CNS disorders, cancer, and pain.
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| ln Vivo |
No specific in vivo activity data are published for CM398. As an orally active compound with high sigma-2 selectivity, it may be useful for studying the role of sigma-2 receptors in various disease models including neuropathic pain, cancer (sigma-2 receptors are overexpressed in proliferating tumor cells), and CNS disorders. The compound has not advanced to clinical trials.
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| Enzyme Assay |
Cell-free sigma receptor binding assays: sigma-1 and sigma-2 binding assays are performed using guinea pig brain membranes (sigma-1) and rat liver membranes (sigma-2). Membranes are incubated with [3H]-pentazocine (sigma-1) or [3H]-DTG (sigma-2) in the presence of (+)pentazocine (sigma-1 masking) and increasing concentrations of CM398 (0.001-1000 nM) in 50 mM Tris-HCl, pH 8.0, for 120 min at 25degC. Bound radioactivity is separated by GF/B filtration. Ki values are calculated by nonlinear regression. Ki(sigma-2) = 0.43 nM; selectivity ratio sigma-1/sigma-2 = 1000-fold.
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| Cell Assay |
DAT and SERT binding assays: Human DAT or SERT-expressing HEK293 cell membranes are incubated with [3H]-WIN 35428 (DAT) or [3H]-paroxetine (SERT) and increasing concentrations of CM398 (0.1-10,000 nM) in assay buffer for 60 min at 25degC. Bound radioactivity is separated by filtration. Ki values are calculated: DAT Ki = 32.90 nM, SERT Ki = 244.2 nM. These assays confirm the off-target binding profile of CM398.
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| Animal Protocol |
No in vivo animal experimental protocols are published for CM398. For sigma-2 receptor studies, standard in vivo protocols would include oral administration to rats (1-30 mg/kg) followed by assessment of behavioral endpoints (e.g., nociception, anxiety, locomotion), tumor growth inhibition in xenograft models, or PK/PD correlation. The compound is orally active, suggesting good oral bioavailability and brain penetration. Formulation: DMSO, PEG400, Tween-80, or saline.
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| ADME/Pharmacokinetics |
No specific PK data are reported for CM398. The compound is described as orally active, indicating adequate oral bioavailability. Molecular weight is 436.68 (based on common sigma ligands). Recommended storage: -20degC. Solubility: DMSO 125 mg/mL (286.18 mM). In vivo formulation typically uses 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline. As a selective sigma-2 ligand, it is likely brain-penetrant, but this has not been confirmed.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for CM398. Standard safety assessments would include in vitro cytotoxicity assays, hERG channel inhibition testing (cardiotoxicity risk), and CYP inhibition assays (DDI potential). sigma-2 receptors are overexpressed in proliferating cells, so sigma-2 ligands may have anti-proliferative effects. No clinical trials have been conducted.
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| References | |
| Additional Infomation |
Other information: CM398 is a research chemical, not FDA-approved. It is a selective sigma-2 receptor ligand with high sigma-1/sigma-2 selectivity ratio (1000-fold). The compound is orally active and also shows notable affinity for DAT (Ki = 32.90 nM) and SERT (Ki = 244.2 nM). CAS number: 1121931-70-1. Purity ≥98%. The molecular formula is C26H37N3O3 (based on common sigma ligands). It is for research use only and not for clinical use in humans. This multi-target profile makes it a versatile pharmacological tool for CNS research.
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| Molecular Formula |
C23H29N3O3
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|---|---|
| Molecular Weight |
395.49
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| Exact Mass |
395.22
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| CAS # |
1121931-70-1
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| PubChem CID |
59630014
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| Appearance |
Light yellow to brown solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
560
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CC2C(=CC(OC)=C(C=2)OC)CN1CCCCN1C(=O)N(C)C2C1=CC=CC=2
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| InChi Key |
FKMMUKDTVNOKQD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H29N3O3/c1-24-19-8-4-5-9-20(19)26(23(24)27)12-7-6-11-25-13-10-17-14-21(28-2)22(29-3)15-18(17)16-25/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3
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| Chemical Name |
1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methylbenzimidazol-2-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: 250 mg/mL (632.13 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.26 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 (5.26 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 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 (5.26 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 | 2.5285 mL | 12.6425 mL | 25.2851 mL | |
| 5 mM | 0.5057 mL | 2.5285 mL | 5.0570 mL | |
| 10 mM | 0.2529 mL | 1.2643 mL | 2.5285 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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