Deschloroclozapine - ≥99% , CAS No.1977-07-7

CAS: 1977-07-7 Cat. No.: D647080 Molecular Weight: 292.4 EC Number: 112-636-7 PubChem CID: 16103
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
BRN 0761696 | C18H20N4 | C73760 | VQHITFFJBFOMBG-UHFFFAOYSA-N | Deschloroclozapine | HB8555 | 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine | 5H-DIBENZO(b,e)(1,4)DIAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)- | BDBM50010591 | 11-(4-Methyl-1-piperazi
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
D647080-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$220.90
50mg
D647080-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$780.90
100mg
D647080-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,160.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

Specifications

Synonyms
BRN 0761696 | C18H20N4 | C73760 | VQHITFFJBFOMBG-UHFFFAOYSA-N | Deschloroclozapine | HB8555 | 6-(4-methylpiperazin-1-yl)-11H-benzo[b][1, 4]benzodiazepine | 5H-DIBENZO(b, e)(1, 4)DIAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)- | BDBM50010591 | 11-(4-Methyl-1-piperazi
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
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 promi
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
AGONIST
Purity
≥99%
Names and Identifiers
Canonical SmilesCN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
IUPAC Name6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
InChIKeyVQHITFFJBFOMBG-UHFFFAOYSA-N
INCHI1S/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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzodiazepines
SubclassDibenzodiazepines
Intermediate Tree Nodes Not available
Direct ParentDibenzodiazepines
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Chrm1 Muscarinic acetylcholine receptor (3770 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Drd5 Dopamine receptor (1304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (342.02 mM; Need ultrasonic)
Molecular Weight292.400 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass292.169 Da
Monoisotopic Mass292.169 Da
Topological Polar Surface Area30.900 Ų
Heavy Atom Count22
Formal Charge0
Complexity413.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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