GBR 12783 dihydrochloride - ≥98% , CAS No.67469-57-2

CAS: 67469-57-2 Cat. No.: G135256 Molecular Weight: 485.5

GRADE & PURITY ≥98%

Synonyms

NORPIPANONE [INN] | Gbr 12783 | 1-(2-(Diphenylmethoxy)ethyl)-4-((2E)-3-phenylprop-2-en-1-yl)piperazine | HY-W008610 | 1-[2-(DIPHENYLMETHOXY)ETHYL]-4-[(2E)-3-PHENYLPROP-2-EN-1-YL]PIPERAZINE | Piperazine, 1-(2-(diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GBR 12783 dihydrochloride is a very potent and selective inhibitor of dopamine uptake (IC50 for inhibition of [3H]-dopamine uptake in rat striatal synaptosomes is 1.8 nM).
A very potent and selective inhibitor of dopamine uptake

Specifications

Synonyms

NORPIPANONE [INN] | Gbr 12783 | 1-(2-(Diphenylmethoxy)ethyl)-4-((2E)-3-phenylprop-2-en-1-yl)piperazine | HY-W008610 | 1-[2-(DIPHENYLMETHOXY)ETHYL]-4-[(2E)-3-PHENYLPROP-2-EN-1-YL]PIPERAZINE | Piperazine, 1-(2-(diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)

Specifications & Purity

≥98%

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

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC=CC=C4
• IUPAC Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
• InChIKey: XFBDGHFDKJITGC-JLHYYAGUSA-N
• INCHI: 1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
• Isomeric SMILES: C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C/C=C/C4=CC=CC=C4
• Molecular Weight: 485.5
• Reaxy-Rn: 578597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=578597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Styrenes N-alkylpiperazines Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Styrene - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble to 10 mM in Water
• Molecular Weight: 412.600 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 412.251 Da
• Monoisotopic Mass: 412.251 Da
• Topological Polar Surface Area: 15.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 477.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1