| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
NMDAR antagonist 1 targets N-methyl-D-aspartate receptor (NMDAR), with an IC₅₀ value of 0.85 μM (glutamate-induced Ca²⁺ influx inhibition assay) and a Ki value of 0.62 μM ([³H]-MK-801 displacement assay) [1]
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| ln Vitro |
NMDAR antagonist 1 (compound 5q) demonstrates remarkable neuroprotective properties [1]. NMDA-induced Ca2+ influx can be reduced by NMDAR antagonist 1 [1]. NMDAR antagonist 1 has the ability to both upregulate p-ERK1/2 expression and inhibit NR2B upregulation [1]. At 0.1 µM, 1 µM, 10 µM, and 100 µM, respectively, NMDAR antagonist 1 inhibits SH-SY5Y cells, resulting in cell viability of 75.8%, 80.0%, 84.4%, and 78.6% [1].
In glutamate-induced PC12 cell excitotoxicity model: NMDAR antagonist 1 (0.1–10 μM) dose-dependently increased cell viability, with 5 μM concentration improving survival rate by 68% compared to glutamate-only group (MTT assay) [1] - The compound inhibited glutamate-induced intracellular Ca²⁺ overload in PC12 cells: 1 μM reduced Ca²⁺ fluorescence intensity by 52% (Fluo-3 AM staining, flow cytometry) [1] - NMDAR antagonist 1 (0.5–5 μM) suppressed glutamate-induced apoptosis in PC12 cells: 3 μM decreased apoptotic rate by 55% (Annexin V-FITC/PI staining), upregulated Bcl-2 expression by 2.3-fold, and downregulated Bax/caspase-3 (cleaved) expression by 48%/62% (Western blot) [1] - In primary cortical neurons: NMDAR antagonist 1 (1–10 μM) protected against NMDA-induced neuronal death, with 5 μM increasing neuron survival by 63% (lactate dehydrogenase (LDH) release assay) [1] - No significant cytotoxicity was observed in PC12 cells or primary cortical neurons at concentrations up to 20 μM [1] |
| Enzyme Assay |
[³H]-MK-801 displacement assay for NMDAR binding: Rat brain synaptic membranes enriched in NMDAR were incubated with [³H]-MK-801 (a selective NMDAR antagonist ligand) and serial dilutions of NMDAR antagonist 1 at 25°C for 90 minutes. Bound and free radioligands were separated by rapid filtration through glass fiber filters, and radioactivity was quantified by liquid scintillation counting to calculate the Ki value [1]
- NMDAR-mediated Ca²⁺ influx inhibition assay: PC12 cells were loaded with Fluo-3 AM fluorescent probe, pretreated with NMDAR antagonist 1 for 30 minutes, then stimulated with glutamate (100 μM) + glycine (10 μM). Fluorescence intensity was measured in real-time to assess Ca²⁺ influx, and IC₅₀ was calculated based on inhibition efficiency [1] |
| Cell Assay |
PC12 cell excitotoxicity protection assay: PC12 cells were seeded in 96-well plates (5×10³ cells/well) and cultured for 24 hours. The cells were pretreated with NMDAR antagonist 1 (0.1–10 μM) for 1 hour, then exposed to glutamate (100 μM) + glycine (10 μM) for 24 hours. MTT reagent was added, and absorbance at 570 nm was measured to calculate cell viability [1]
- Apoptosis detection assay: PC12 cells were treated as above, harvested, stained with Annexin V-FITC and PI for 15 minutes in the dark, and analyzed by flow cytometry to quantify apoptotic cells [1] - Western blot analysis: Treated PC12 cells were lysed, proteins separated by SDS-PAGE, transferred to membranes, and probed with antibodies against Bcl-2, Bax, cleaved caspase-3, and GAPDH. Band intensity was quantified by densitometry [1] - Primary cortical neuron protection assay: Cortical neurons were isolated from embryonic rats (E18), cultured for 7 days, pretreated with NMDAR antagonist 1 (1–10 μM) for 1 hour, then stimulated with NMDA (50 μM) + glycine (10 μM) for 24 hours. LDH release in culture supernatants was measured to assess neuronal damage [1] |
| References | |
| Additional Infomation |
NMDAR antagonist 1 is a synthetic derivative of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid, designed as a selective NMDAR antagonist [1]
- Its neuroprotective mechanism includes blocking NMDAR-mediated excess Ca²⁺ influx and inhibiting the mitochondrial apoptosis pathway (regulating the Bcl-2/Bax ratio and inhibiting caspase-3 activation) [1] - This compound has shown highly effective protection against excitotoxic-induced neuronal damage in both PC12 cells and primary cortical neurons, and has potential application value in the treatment of neurodegenerative diseases (such as Alzheimer's disease and stroke) [1] |
| Molecular Formula |
C20H20BRN3O2
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|---|---|
| Molecular Weight |
414.295703887939
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| Exact Mass |
413.073
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| CAS # |
2220162-06-9
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| Related CAS # |
(Rac)-NMDAR antagonist 1;2435557-99-4
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| PubChem CID |
145710206
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| Appearance |
White to off-white solid powder
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| Density |
1.54±0.1 g/cm3(Predicted)
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
547
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| Defined Atom Stereocenter Count |
1
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| SMILES |
BrC1C=CC2=C(C=1)CN1C(CC[C@H]1C(NCCC1C=CC(=CC=1)O)=O)=N2
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| InChi Key |
NCHFPVRYYJGAJY-SFHVURJKSA-N
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| InChi Code |
InChI=1S/C20H20BrN3O2/c21-15-3-6-17-14(11-15)12-24-18(7-8-19(24)23-17)20(26)22-10-9-13-1-4-16(25)5-2-13/h1-6,11,18,25H,7-10,12H2,(H,22,26)/t18-/m0/s1
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| Chemical Name |
(1S)-7-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-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 |
| 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: ~6.7 mg/mL (~16.1 mM; with ultrasonication and warming by heating to 60°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.67 mg/mL (1.62 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (6.7 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 0.67 mg/mL (1.62 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 DMSO stock solution (6.7 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 0.67 mg/mL (1.62 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (6.7 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4137 mL | 12.0685 mL | 24.1371 mL | |
| 5 mM | 0.4827 mL | 2.4137 mL | 4.8274 mL | |
| 10 mM | 0.2414 mL | 1.2069 mL | 2.4137 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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