DuP 734 - ≥98% , CAS No.135135-87-4

CAS: 135135-87-4 Cat. No.: D647102 Fórmula: C17H23BrFNO Peso molecular: 356.27 PubChem CID: 121967
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
UNII-C37356QT0J | DuP 734 | HY-136281 | AKOS040755615 | Q27275133 | MS-25572 | ETHANONE, 2-(1-(CYCLOPROPYLMETHYL)-4-PIPERIDINYL)-1-(4-FLUOROPHENYL)-, HYDROBROMIDE (1:1) | 1-(Cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxoethyl)piperidine | 2-[1-(cyclop
Storage
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice
★
Size
Alemania (EU)
USA*
Price
Qty
5mg
D647102-5mg
Fabricado bajo pedido · 8–12 semanas
434,65€
10mg
D647102-10mg
Fabricado bajo pedido · 8–12 semanas
781,75€
50mg
D647102-50mg
Fabricado bajo pedido · 8–12 semanas
2.256,90€
100mg
D647102-100mg
Fabricado bajo pedido · 8–12 semanas
3.471,74€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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.

Descripción general

DuP 734 is a sigma receptor antagonist. DuP 734 is a selective and potent sigma and 5-HT2 receptor ligand with weak affinity for D2 receptors. DuP 734 may have antipsychotic activity without the liability of motor side effects typical of neuroleptics

In Vivo

DuP 734 potently blocks mescaline-induced scratching (ED 50 =0.35 mg/kg, p.o.) and aggressive activity (ED 50 =1.9 mg/kg, p.o.) and is relatively much weaker as an apomorphine antagonist (ED 50 =12 mg/kg, p.o.) . Administration of DuP 734 potently antagonizes the binding of [ 3 H]DuP 734 and [ 3 H](+)-SKF 10,047 to brain sigma receptors in vivo with ID 50 values of 0.02 and 0.07 mg/kg (0.07 and 0.25μmol/kg), respectively. Following intravenous dosing, the disposition of DuP 734 in mice, rats, beagle dogs and cynomolgus monkeys is characterized by high total body systemic plasma clearance (46 to 87 mL/min/kg) and large steady-state volume of distribution (3.6 to 6.8 L/kg). The terminal elimination half-life ranged from 50 to 83 min. The gastrointestinal absorption from an aqueous solution is very rapid in mice and rats with peak DuP 734 plasma concentrations attain within 5 and 20 min following administration, respectively. The peak plasma concentrations in dogs and monkeys are attained within 45 and 130 min, respectively. The absolute bioavailability in mice ranges from 29 to 46% at doses of 3.1 to 30.1 mg/kg. The bioavailability increases from 4 to 10% and from 14 to 72% when doses are increased from 12.5 to 50 mg/kg and 1 to 3 mg/kg of DuP 734 in rats and dogs, respectively. The bioavailability in monkeys is 30.5% at 9.3 mg/kg DuP 734 dose. The dose dependent pharmacokinetics of DuP 734 is observed within narrow dose ranges in all animal species investigated. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Sigma receptor,5-HT2 receptor,D2 receptor

Specifications

Sinónimos
UNII-C37356QT0J | DuP 734 | HY-136281 | AKOS040755615 | Q27275133 | MS-25572 | ETHANONE, 2-(1-(CYCLOPROPYLMETHYL)-4-PIPERIDINYL)-1-(4-FLUOROPHENYL)-, HYDROBROMIDE (1:1) | 1-(Cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxoethyl)piperidine | 2-[1-(cyclop
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
DuP 734 is a sigma receptor antagonist. DuP 734 is a selective and potent sigma and 5-HT2 receptor ligand with weak affinity for D2 receptors. DuP 734 may have antipsychotic activity without the liability of motor side effects typical of neuroleptics
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C,Argon charged,Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
ANTAGONIST
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicas
C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F.Br
IUPAC Name
2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone;hydrobromide
InChIKey
QLZIAKMYJFJBKA-UHFFFAOYSA-N
INCHI
1S/C17H22FNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-6,13-14H,1-2,7-12H2;1H
Isómeros SMILES
C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F.Br
CAS alternativo
135135-87-4
PubChem CID
121967
Términos de entrada MeSH
1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxoethyl)piperidine;DuP 734;DuP-734
Peso molecular
356.27

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
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Benzoyl derivatives  Aryl alkyl ketones  Fluorobenzenes  Piperidines  Aryl fluorides  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Hydrobromides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrobromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
Objetivos asociados (no humanos)
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : 250 mg/mL (701.71 mM; Need ultrasonic) H2O : ≥ 100 mg/mL (280.69 mM)
Peso molecular356.300 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass355.095 Da
Monoisotopic Mass355.095 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count21
Formal Charge0
Complexity326.000
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 Count2
Calculadoras de soluciones
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