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

CAS: 1977-07-7 Cat. No.: D647080 分子式: C18H20N4 分子量: 292.4 EC番号: 112-636-7 PubChem CID: 16103
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
10mg
D647080-10mg
受注生産 · 8~12週間
$220.90
50mg
D647080-50mg
受注生産 · 8~12週間
$780.90
100mg
D647080-100mg
受注生産 · 8~12週間
$1,160.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

概要

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

同義語
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
仕様と純度
≥99%
生化学的・生理学的メカニズム
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
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
AGONIST
純度
≥99%
名前と識別子
カノニカル・スマイル
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
異性体SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
PubChem CID
16103
分子量
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
分類Benzodiazepines
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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
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
関連ターゲット(非人間)
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
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 100 mg/mL (342.02 mM; Need ultrasonic)
分子量292.400 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
ソリューション計算機
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