| 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 |
Purity: ≥98%
| Targets |
hM3Dq ( EC50 = 1.7 nM )
DREADD agonist 21 targets engineered muscarinic DREADDs, specifically the hM3Dq (excitatory) and hM4Di (inhibitory) receptors. It shows high selectivity for these engineered receptors over endogenous human M3 receptors, meaning it does not activate the wild-type human M3 receptor. Its EC50 for hM3Dq is 1.7 nM in a cell-based calcium mobilization assay. |
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| ln Vitro |
DREADD Agonist 21 is a potent human muscarinic cardiac M3 receptor agonist (hM3Dq) agonist (EC50=1.7 nM) that does not activate the human M3 receptor (hM3). In addition to being inactive against hM3, DREADD agonist 21 is a potent full agonist of hM3Dq (EC50=1.7 nM). It is only 3.5-fold more selective for hM3Dq than H1 and 40-fold more selective than 5HT2A. 100 times more selective for 5HT2C than α1A. DREADD Agonist 21 has high affinity for 5HT2A and 5HT2C serotonin uptake, α1A initiator uptake and H1 histamine uptake, with Ki values of 66, 170, 280 and 6 nM respectively. [1]. DREADD agonist 21 potently activates hM1Dq, hM3Dq and hM4Di. DREADD agonist 21 binds hM1, hM4, hM1Dq, and hM4Di with pKi of 5.97, 5.44, 7.20, and 6.75, respectively. DREADD agonist 21 effectively activated hM3Dq in Chinese mouse hamster or (CHO) cells transfected cells in vitro, with a pEC50 of 8.48±0.05. DREADD Agonist 21 is a highly selective and potent muscarinic DREADD agonist (pEC50 for hM1Dq=6.54 and hM4Di=7.77 in pERK assay) [2].
In vitro, DREADD agonist 21 is a potent and full agonist of hM3Dq with an EC50 of 1.7 nM. Its potency is also demonstrated in pERK assays, with pEC50 values of 6.54 for hM1Dq and 7.77 for hM4Di. It is completely inactive against the human M3 receptor (hM3). |
| ln Vivo |
DREADD agonist 21 (0.3, 1.0 and 3.0 mg/kg; ip) activates neuronal hM3Dq in mice[2]. DREADD agonist 21 has excellent bioavailability, pharmacokinetic properties and brain penetration. 21 (0.1, 1 and 10 mg/kg; ip) exhibits 95.1% rabbit protein binding and 95% brain protein binding in mice [2].
In vivo, DREADD agonist 21 is used as a tool to activate DREADDs in animal models. It is typically administered systemically (e.g., intraperitoneally) to modulate the activity of specific neuronal populations that have been engineered to express DREADDs. This allows researchers to study the behavioral and physiological consequences of activating or inhibiting these neurons. |
| Enzyme Assay |
DREADD agonist 21 is not a traditional drug; it is a chemical tool for DREADD technology. As such, standard receptor binding assays are not typically performed. Its activity is assessed by its ability to activate DREADDs, primarily via calcium mobilization assays.
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| Cell Assay |
For in vitro cellular assays, cells (e.g., HEK-293 cells) engineered to express the hM3Dq DREADD are used. Cells are loaded with a calcium-sensitive dye and exposed to various concentrations of DREADD agonist 21. The increase in intracellular calcium, indicative of receptor activation, is measured fluorometrically to calculate EC50 values.
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| Animal Protocol |
In vivo animal studies involve the use of transgenic animals expressing DREADDs in specific brain regions or cell types. DREADD agonist 21 is administered (e.g., via intraperitoneal injection) to activate the DREADDs. The resulting behavioral, physiological, or neural activity changes are then measured to study the function of the targeted neuronal population.
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| ADME/Pharmacokinetics |
DREADD agonist 21 has a molecular weight of 278.35 g/mol and a molecular formula of C17H18N4. It is typically stored as a powder at -20°C. It is soluble in DMSO.
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| Toxicity/Toxicokinetics |
As a research chemical used at very low doses in vivo, DREADD agonist 21 is generally well-tolerated in animal studies. Comprehensive toxicity data is not available in standard databases. It is not intended for human therapeutic use.
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| References |
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| Additional Infomation |
DREADD agonist 21 (Compound 21) is a highly selective and potent agonist for muscarinic DREADDs (hM3Dq and hM4Di). It is a key tool in chemogenetics, enabling the remote control of neuronal activity in animal models.
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| Molecular Formula |
C17H18N4
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|---|---|
| Molecular Weight |
278.35
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| Exact Mass |
278.153
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| Elemental Analysis |
C, 73.35; H, 6.52; N, 20.13
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| CAS # |
56296-18-5
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| Related CAS # |
DREADD agonist 21 dihydrochloride; 2250025-92-2
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| PubChem CID |
11818276
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
470.1±55.0 °C at 760 mmHg
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| Flash Point |
238.1±31.5 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.699
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| LogP |
0.98
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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 |
1
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| Heavy Atom Count |
21
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| Complexity |
388
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C2C3=C([H])C([H])=C([H])C([H])=C3N([H])C3=C([H])C([H])=C([H])C([H])=C3N=2)C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
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| InChi Key |
JCBYXNSOLUVGTF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
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| Chemical Name |
6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
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| Synonyms |
DREADD-agonist-21; DREADD agonist 21; DREADD agonist-21
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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: ~56 mg/mL (~201.2 mM)
Ethanol: ~56 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.98 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 25.0 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: ≥ 2.5 mg/mL (8.98 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5926 mL | 17.9630 mL | 35.9260 mL | |
| 5 mM | 0.7185 mL | 3.5926 mL | 7.1852 mL | |
| 10 mM | 0.3593 mL | 1.7963 mL | 3.5926 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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