Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Deschloroclozapine, a metabolite of Clozapine, is a highly potent muscarinic DREADDs agonist. Deschloroclozapine binds to DREADD receptor subtypes hM3Dq and hM4Di with K i of 6.3 and 4.2 nM, respectively. [ 11 C]-Deschloroclozapine is developed as a promising PET tracer for DREADD imaging
In Vitro
Designer Receptors Exclusively Activated by Designer Drugs (DREADD) are a chemogenetic approach for remote manipulation of neuronal activity in freely-moving animals. DREADDs comprise mutated G protein-coupled receptors (GPCRs) that do not respond to their endogenous neurotransmitter, but do respond to an otherwise “inert” exogenous substance. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Deschloroclozapine (0.3?mg/kg; intramuscularly) impairs working memory function in male rhesus macaques (aged between 5 and 6 years and weighing 5.5-7.9?kg). ?\nDeschloroclozapine (0.1?mg/kg; i.m) is effective at activating DREADD receptors in vivo and reversibly inducing behavioral effects in monkeys. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:mAChR3 mAChR4
| Canonical Smiles | CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine |
| InChIKey | VQHITFFJBFOMBG-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3 |
| Isomeric SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42 |
| PubChem CID | 16103 |
| Molecular Weight | 292.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodiazepines |
| Subclass | Dibenzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzodiazepines |
| Alternative Parents | 1,4-benzodiazepines N-methylpiperazines Imidolactams Benzenoids Trialkylamines Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzodiazepine - 1,4-benzodiazepine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Tertiary aliphatic amine - Tertiary amine - Amidine - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (342.02 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 292.400 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 292.169 Da |
| Monoisotopic Mass | 292.169 Da |
| Topological Polar Surface Area | 30.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 413.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |