Basic information
- CAS
206996-13-6- Standard SMILES
CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl- InChIKey
NXFDBTLQOARIMH-UHFFFAOYSA-N- Molecular formula
- C13H20Cl4N2
- Average molar mass
- 346.1 g/mol
- Monoisotopic mass
- 344.038059
Names & identifiers
- Preferred name
- BD 1063 Dihydrochloride
- IUPAC
- 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
- English name
- 1-[2-(3,4-Dichlorophenyl)ethyl]-4-Methylpiperazine Dihydrochloride
- Molecular formula
- C13H19Cl3N2
- Molecular weight
- 309.66
Names & synonyms
BD 1063 DihydrochlorideDTXSID00469537RefChem:320988DTXCID50420355206996-13-6BD1063 dhydrochlorideBD1063 (dhydrochloride)1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine DihydrochlorideBD 1063 (hydrochloride)1-(3,4-dichlorophenethyl)-4-methylpiperazine dihydrochloride1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochlorideMFCD00792740
Show more names
BD1063 2HCL ，S0191BD 1063 dihydrochloride, sigma-1 antagonistBD-1063 DHYDROCHLORIDEBD 1063 DHYDROCHLORIDESigma Receptor,Inhibitor,inhibit,BD1063 dhydrochloride,BD-1063 dhydrochloride
BD1063 dihydrochlorideBD1063 2HClBD1063 dhydrochloride?BD-1063 DihydrochlorideBD1063 HClC13H20Cl4N2orb1220413orb1299776
Database identifiers
- CAS
206996-13-6- PubChem CID
- 11617161
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- storage temp.
- room temp
- solubility
- 2 O: · H2O: >15mg/mL
- form
- powder
- color
- white to beige
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 3 months.
- 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
- SMILES
- Cl.Cl.CN1CCN(CC1)CCc2ccc(Cl)c(Cl)c2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
DescriptionBD1063 (206996-13-6) is potent and selective sigma-1 antagonist (IC50’s: σ1 = 9nM, σ2 = 449nM).1BD1063 abolished mechanical and thermal hyperalgesia in mice with carrageenan-induced acute inflammation by enhancing the action of endogenous opioid peptides of immune origin in a σ1 dependent manner.2BD1063 potentiated μ-opioid antinociception in mice in a sigma-dependent manner.3BD-1063 has been used in animal models to successfully treat compulsive eating4and excessive ethanol drinking5.
UsesBD 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 cellsin 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
UsesThe novel σ receptor ligands
Suppliers56 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海微佳禾生物科技有限公司
Related reactions
0 records
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Compound notes
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