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BD1063 (dhydrochloride)

CAT: 0804-HY-18101A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18101A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BD1063 dhydrochloride is a potent and selective sigma 1 receptor antagonist.
CAS Number
206996-13-6
UNSPSC
12352005
Hazard Statement
H319
Target
Sigma Receptor
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/BD1063_dhydrochloride.html
Purity
98.0
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
CN1CCN(CCC2=CC=C(Cl)C(Cl)=C2)CC1.Cl.Cl
Molecular Formula
C13H20Cl4N2
Molecular Weight
346.12
Precautions
H319
References & Citations
[1]Sabino V, et al. The sigma-receptor antagonist BD-1063 decreases ethanol intake and reinforcement in animal models of excessive drinking. Neuropsychopharmacology. 2009 May;34 (6) :1482-93.|[2]Cottone P, et al. Antagonism of sigma-1 receptors blocks compulsive-like eating. Neuropsychopharmacology. 2012 Nov;37 (12) :2593-604.|[3]Nieto FR, et al. Role of sigma-1 receptors in paclitaxel-induced neuropathic pain in mice. J Pain. 2012 Nov;13 (11) :1107-21.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Sigma 1 Receptor

Chemical Information

BD 1063 Dihydrochloride
CAS Number206996-13-6
PubChem CID11617161
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
Molecular FormulaC13H20Cl4N2
Molecular Weight346.1
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity229
SMILES
CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl.Cl.Cl
InChI
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
InChIKey
NXFDBTLQOARIMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BD 1063 Dihydrochloride
CAS: 206996-13-6
CID: 11617161
Formula: C13H20Cl4N2
MW: 346.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass346.035109
Monoisotopic Mass344.038059
Topological Polar Surface Area6.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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