| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Aptiganel targets the N-methyl-D-aspartate (NMDA) receptor, an ionotropic glutamate receptor that plays a key role in excitotoxicity, a process implicated in stroke and neurodegenerative diseases. It acts as a noncompetitive antagonist, meaning it binds to a site distinct from the glutamate binding site and inhibits receptor function.
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|---|---|
| ln Vitro |
In vitro, aptiganel acts as a noncompetitive NMDA antagonist. By blocking NMDA receptors, it inhibits excitatory neurotransmission and protects neurons from glutamate-induced excitotoxicity. Its cerebroprotective effects have been demonstrated in various in vitro models of neuronal injury.
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| ln Vivo |
In vivo, aptiganel was studied for its neuroprotective effects in the treatment of acute ischemic stroke. However, clinical trials did not demonstrate sufficient efficacy, and its development was discontinued. It was also researched for potential use in other neurological conditions.
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| Enzyme Assay |
The in vitro receptor binding assay for aptiganel typically involves radioligand displacement studies using membrane preparations from brain tissue or cells expressing NMDA receptors. As a noncompetitive antagonist, its binding can be studied using labeled ligands that bind to the same site (e.g., the MK-801 binding site within the ion channel). These assays provide a direct measure of the compound's binding affinity.
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| Cell Assay |
In vitro cellular assays for aptiganel assess its functional antagonism at NMDA receptors. Neuronal cultures or cells expressing NMDA receptors are treated with aptiganel, and its ability to inhibit glutamate-induced calcium influx or cell death is measured. These assays demonstrate the compound's neuroprotective activity in a cellular context.
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| Animal Protocol |
In vivo animal studies for aptiganel were conducted in animal models of stroke to evaluate its neuroprotective effects. However, clinical trials did not demonstrate efficacy in humans. The compound's development was discontinued despite promising preclinical data.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for aptiganel are not extensively detailed in the available literature. As a small molecule, its pharmacokinetic properties would have been evaluated during its development. However, these data are not readily available. It is a research compound and is not approved for clinical use.
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| Toxicity/Toxicokinetics |
Specific toxicity data for aptiganel are not extensively detailed in the available literature. As an NMDA receptor antagonist, its toxicity profile may include psychotomimetic effects, which are common for this class of compounds. Its development was discontinued due to lack of efficacy rather than safety concerns.
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| Additional Infomation |
Alprategarine is a member of the naphthalene family.
Aptiganel (CNS-1102, Cerestat) is a noncompetitive NMDA receptor antagonist that was developed as a neuroprotective agent for the treatment of stroke. Despite promising preclinical data, clinical trials did not demonstrate sufficient efficacy, and its development was discontinued. It is a research compound and is not approved for clinical use. |
| Molecular Formula |
C20H21N3
|
|---|---|
| Molecular Weight |
C20H21N3
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| Exact Mass |
303.174
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| CAS # |
137159-92-3
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| Related CAS # |
Aptiganel hydrochloride;137160-11-3
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| PubChem CID |
60840
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.08g/cm3
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| Boiling Point |
490.9ºC at 760 mmHg
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| Flash Point |
250.7ºC
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| Vapour Pressure |
8.81E-10mmHg at 25°C
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| Index of Refraction |
1.599
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| LogP |
5.058
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
406
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC1C=CC=C(N(C(NC2=CC=CC3=CC=CC=C23)=N)C)C=1
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| InChi Key |
BFNCJMURTMZBTE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H21N3/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14H,3H2,1-2H3,(H2,21,22)
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| Chemical Name |
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| 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.) |
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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