| Identification | Back Directory | [Name]
11-Piperazinyldibenzo[b,e][1,4]diazepine | [CAS]
56296-18-5 | [Synonyms]
DREADD agonist 1
DREADD Agonist 21
11-Piperazinyldibenzo[b,e][1,4]diazepine
11-(1-Piperazinyl)-5H-dibenzo[b,e][1,4]diazepine
5H-Dibenzo[b,e][1,4]diazepine, 11-(1-piperazinyl)- | [Molecular Formula]
C17H18N4 | [MDL Number]
MFCD25121806 | [MOL File]
56296-18-5.mol | [Molecular Weight]
278.35 |
| Chemical Properties | Back Directory | [Melting point ]
230-234 °C(Solvent: Methanol) | [Boiling point ]
470.1±55.0 °C(Predicted) | [density ]
1.28±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.8(Max Conc. mM)
Ethanol:29.61(Max Conc. mg/mL);106.39(Max Conc. mM) | [form ]
A crystalline solid | [pka]
8.56±0.10(Predicted) | [color ]
Yellow | [Water Solubility ]
H2O: 2mg/mL, clear | [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 | [InChIKey]
JCBYXNSOLUVGTF-UHFFFAOYSA-N | [SMILES]
C1(C=CC=C2)=C2C(N3CCNCC3)=NC(C=CC=C4)=C4N1 |
| Hazard Information | Back Directory | [Description]
DREADD agonist 21 activates hM3Dq (EC50 = 1.7 nM), a designer receptor exclusively activated by designer drugs (DREADD) derived from the human muscarinic acetylcholine M3 receptor. It does not agonize the hM3 receptor and displays relatively weaker binding affinities for serotonin 5-HT2A, 5-HT2C, α1A-adrenergic, and histamine H1 receptors (Kis = 66, 170, 280, and 6 nM, respectively). | [Uses]
DREADD agonist 21 is an agonist of hM3Dq, a designer receptor exclusively activated by designer drugs (DREADD). It preferentially binds hM3Dq?DREADDs over endogenous hM3?receptors. | [in vivo]
DREADD agonist 21 (0.3, 1.0, and 3.0 mg/kg; i.p.) activates neuronal hM3Dq in mice[2].
?
DREADD agonist 21 has excellent bioavailability, pharmacokinetic properties, and brain penetrability. DREADD agonist 21 (0.1, 1, and 10 mg/kg; i.p.) displays 95.1% plasma protein binding and 95% brain protein bounding in mice[2]. | [IC 50]
mAChR3 | [storage]
Room temperature | [References]
[1] XIN CHEN. The First Structure–Activity Relationship Studies for Designer Receptors Exclusively Activated by Designer Drugs[J]. ACS Chemical Neuroscience, 2015, 6 3: 476-484. DOI: 10.1021/cn500325v |
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| Company Name: |
Energy Chemical
|
| Telephone: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Bide Pharmatech Ltd.
|
| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
|