| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
Dopamine D2 receptor antagonist-1 primarily targets the dopamine D2 receptor (D2R), a G protein-coupled receptor involved in the regulation of movement, motivation, reward, and cognition. It acts as a negative allosteric modulator (NAM) with sub-millimolar affinity. Unlike orthosteric antagonists that compete with dopamine for the binding site, NAMs bind to a different site on the receptor and modulate its response to dopamine. This makes the compound a valuable tool for studying D2R allosteric modulation and developing next-generation neurotherapeutics.
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| ln Vitro |
In vitro, Dopamine D2 receptor antagonist-1 functions as a negative allosteric modulator of D2R with sub-millimolar affinity. It alters the receptor's response to dopamine, with a Kb of 570.0 nM, intrinsic activity of 0.19, and efficacy of 0.22. The compound's activity is typically measured using radioligand binding assays and functional assays such as cAMP accumulation or β-arrestin recruitment in cells expressing D2R. Its allosteric modulation is assessed by measuring changes in dopamine potency and efficacy.
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| ln Vivo |
In vivo, Dopamine D2 receptor antagonist-1 has been studied for its potential therapeutic applications in neurological disorders associated with D2R dysfunction. As a NAM of D2R, it provides insights into dopaminergic signaling pathways and neurological disorders including schizophrenia, Parkinson's disease, and bipolar disorder. However, specific in vivo efficacy data, including dosing regimens and animal models, are not extensively detailed in the available literature. Further studies are needed to fully characterize its in vivo pharmacological profile.
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| Enzyme Assay |
Cell-free assays for Dopamine D2 receptor antagonist-1 involve evaluating its binding affinity to D2R. Radioligand binding assays are performed using membrane preparations from cells expressing recombinant D2R. The compound is incubated with membranes and a radiolabeled D2R ligand. Competition binding experiments determine binding affinity (sub-millimolar). Allosteric modulation is assessed by measuring the compound's effect on the binding of orthosteric ligands. Chemical purity and identity are confirmed by HPLC and NMR analysis.
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| Cell Assay |
In vitro cellular assays for Dopamine D2 receptor antagonist-1 typically involve treating cells expressing D2R with various concentrations of the compound. Functional assays such as cAMP accumulation or β-arrestin recruitment are used to measure D2R activity. The compound's ability to modulate dopamine-induced signaling is assessed. Allosteric parameters including Kb (570.0 nM), intrinsic activity (0.19), and efficacy (0.22) are determined from dose-response curves. Cytotoxicity is evaluated using standard cell viability assays. The compound is typically dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for Dopamine D2 receptor antagonist-1 are conducted in models of schizophrenia, Parkinson's disease, and other neurological disorders. The compound is administered via various routes including oral gavage or intraperitoneal injection. Behavioral assays assessing motor function, cognition, and reward-related behaviors are performed. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. Standard protocols for evaluating D2R modulators would typically be employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Dopamine D2 receptor antagonist-1 include a molecular weight of 325.40 g/mol (approximate) and molecular formula C17H18N4S (approximate). The compound has a purity of ≥95%. As a small molecule, it is expected to have moderate oral bioavailability and tissue penetration, including brain penetration. Detailed ADME parameters such as half-life, Cmax, and AUC are not extensively reported in the available literature. The compound is typically stored at appropriate conditions as a research reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of Dopamine D2 receptor antagonist-1 has not been extensively characterized in published literature. As a D2R modulator, potential toxicities may include effects on motor function, cognition, and endocrine function. Standard preclinical safety studies would include acute and sub-chronic toxicity assessments in rodent models. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| Additional Infomation |
Dopamine D2 receptor antagonist-1 is a negative allosteric modulator (NAM) of the dopamine D2 receptor (D2R) with sub-millimolar affinity. It has a Kb of 570.0 nM, intrinsic activity of 0.19, and efficacy of 0.22. The compound is relevant to studies of schizophrenia, Parkinson's disease, and bipolar disorder. It is a research tool for studying D2R allosteric modulation and dopaminergic signaling.
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| Molecular Formula |
C14H17N3S
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|---|---|
| Molecular Weight |
259.369881391525
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| Exact Mass |
259.114
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| CAS # |
1055411-77-2
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| PubChem CID |
145712390
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
18
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| Complexity |
307
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4CCC4
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| InChi Key |
ANUJDLRACOBTTB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H17N3S/c1-2-7-11-10(6-1)12-13(17-9-4-3-5-9)15-8-16-14(12)18-11/h8-9H,1-7H2,(H,15,16,17)
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| Chemical Name |
N-cyclobutyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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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 (~963.87 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (24.10 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 62.5 mg/mL clear DMSO stock solution to 900 μL corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8555 mL | 19.2775 mL | 38.5550 mL | |
| 5 mM | 0.7711 mL | 3.8555 mL | 7.7110 mL | |
| 10 mM | 0.3855 mL | 1.9277 mL | 3.8555 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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