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11-Piperazinyldibenzo[b,e][1,4]diazepine

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11-Piperazinyldibenzo[b,e][1,4]diazepine manufacturers

11-Piperazinyldibenzo[b,e][1,4]diazepine Basic information
Product Name:11-Piperazinyldibenzo[b,e][1,4]diazepine
Synonyms:11-Piperazinyldibenzo[b,e][1,4]diazepine;11-(1-Piperazinyl)-5H-dibenzo[b,e][1,4]diazepine;DREADD agonist 1;5H-Dibenzo[b,e][1,4]diazepine, 11-(1-piperazinyl)-;Muscarinic acetylcholine receptor,schizophrenia,mAChR,Inhibitor,muscarinic,disease,inhibit,DREADD agonist21,neurodegenerative,acetylcholine,DREADD agonist 21,DREADD,neuronal,hM3Dq,DREADD agonist-21,activation,receptors;11-(Piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine;DREADD Agonist 21, DREADD agonist;DREADD agonist 21, 10 mM in DMSO
CAS:56296-18-5
MF:C17H18N4
MW:278.35
EINECS:
Product Categories:
Mol File:56296-18-5.mol
11-Piperazinyldibenzo[b,e][1,4]diazepine Structure
11-Piperazinyldibenzo[b,e][1,4]diazepine Chemical Properties
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
pka8.56±0.10(Predicted)
color Yellow
Water Solubility H2O: 2mg/mL, clear
InChI1S/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
InChIKeyJCBYXNSOLUVGTF-UHFFFAOYSA-N
SMILESC1(C=CC=C2)=C2C(N3CCNCC3)=NC(C=CC=C4)=C4N1
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
MSDS Information
11-Piperazinyldibenzo[b,e][1,4]diazepine Usage And Synthesis
DescriptionDREADD 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).
UsesDREADD agonist 21 is an agonist of hM3Dq, a designer receptor exclusively activated by designer drugs (DREADD). It preferentially binds hM3DqDREADDs over endogenous hM3receptors.
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 50mAChR3
storageRoom 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
11-Piperazinyldibenzo[b,e][1,4]diazepine Preparation Products And Raw materials
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