BD 1063 Dihydrochloride - 10mM in DMSO , CAS No.206996-13-6

CAS: 206996-13-6 Cat. No.: B580305 Molecular Weight: 346.12 EC Number: 803-327-4 PubChem CID: 11617161

GRADE & PURITY 10mM in DMSO

Synonyms

BCP31637 | BD 1063 dihydrochloride, >=98% (HPLC) | DTXSID00469537 | BD1063 dhydrochloride | BB 0248085 | HMS1379M06 | 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride | BD1063 (dhydrochloride) | BD 1063 Dihydrochloride | SR-01000597944-1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Application：

BD 1063 dihydrochloride has been used as a sigma-1 receptor (S1R) antagonist:

to study the in vitro and in vivo protective action of S1R against ferroptosis in hepatocellular carcinoma cells in a comparative evaluation of its anti-hyperalgesic action with that of the effects of N-(2-morpholin-4-yl-ethyl)-2-(1-naphthyloxy) acetamide (NMIN) in a chronic constriction injury model (CCI) to study the contribution of sigma receptors inhibition to the neuroprotective effects of memantine against amyloid-beta (Aβ)-induced neurotoxicity in SH-SY5Y cells

Specifications

Synonyms

BCP31637 | BD 1063 dihydrochloride, >=98% (HPLC) | DTXSID00469537 | BD1063 dhydrochloride | BB 0248085 | HMS1379M06 | 1-[2-(3, 4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride | BD1063 (dhydrochloride) | BD 1063 Dihydrochloride | SR-01000597944-1

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

σ1receptor antagonist, approximately 50-fold selective overσ2sites and ≥100-fold selective over opioid, PCP, muscarinic, dopamine, α1, α2, βadrenoceptor, 5-HT1and 5-HT2receptors. Prevents hyperlocomotion following cocaine administration in mice.BD 1063 is a

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl.Cl.Cl
• IUPAC Name: 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
• InChIKey: NXFDBTLQOARIMH-UHFFFAOYSA-N
• INCHI: 1S/C13H18Cl2N2.2ClH/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11;;/h2-3,10H,4-9H2,1H3;2*1H
• Isomeric SMILES: CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl.Cl.Cl
• WGK Germany: 3
• PubChem CID: 11617161
• Molecular Weight: 346.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Dichlorobenzenes N-methylpiperazines Aralkylamines Aryl chlorides Trialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenethylamine - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl chloride - Piperazine - 1,4-diazinane - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 34.61, Max Conc. mM: 100；H2O: >15 mg/mL
• Sensitivity: Moisture sensitive
• Melt Point(°C): >220°C (dec.)
• Molecular Weight: 346.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 346.035 Da
• Monoisotopic Mass: 344.038 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 229.000
• 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: 3

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