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172906-90-0

172906-90-0 Structure

172906-90-0 Structure
IdentificationBack Directory
[Name]

PB28dihydrochloride
[CAS]

172906-90-0
[Synonyms]

PB-28
PB28 dihydrochloride >=98% (HPLC), solid
Piperazine,1-cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]-
1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazinedihydrochloride
[Molecular Formula]

C24H38N2O
[MDL Number]

MFCD06798349
[MOL File]

172906-90-0.mol
[Molecular Weight]

370.57
Chemical PropertiesBack Directory
[Boiling point ]

501.4±50.0 °C(Predicted)
[density ]

1.032±0.06 g/cm3(Predicted)
[storage temp. ]

Desiccate at +4°C
[solubility ]

H2O: ~10mg/mL at 60°C
[form ]

solid
[pka]

8.32±0.70(Predicted)
[color ]

white
[Water Solubility ]

H2O: ~10mg/mL at60°C
[InChI]

1S/C24H38N2O.2ClH/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21;;/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3;2*1H
[InChIKey]

DSRBJOQIBXACIV-UHFFFAOYSA-N
[SMILES]

Cl[H].Cl[H].COc1cccc2C(CCCN3CCN(CC3)C4CCCCC4)CCCc12
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

PB 28 is a selective σ2 receptor agonist. It is also an antitumor and cytotoxic agent.
[Definition]

ChEBI: PB28 is a member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. It has a role as an anticoronaviral agent, an antineoplastic agent, an apoptosis inducer and a sigma-2 receptor agonist. It is an aromatic ether, a member of piperazines and a member of tetralins.
[Biological Activity]

High affinity σ 2 receptor agonist (K i values are 0.8 and 15.2 nM for σ 2 and σ 1 receptors respectively) that displays minimal affinity at other receptors. Inhibits electrically evoked twitch in guinea pig bladder and ileum (EC 50 values are 2.62 and 3.96 μ M respectively). Displays antiproliferative and cytotoxic effects in SK-N-SH neuroblastoma and C6 glioma cells.
[in vivo]

PB28 (10.7 mg/mL; intraperitoneal injection; daily; for two weeks; C57BL/6 female mice) treatment inhibits tumor growth in Panc02 tumor burden mice. PB28 also conferres a survival advantage for mice[2].

Animal Model:C57BL/6 female mice (10 weeks old) injected with Panc02 cells[2]
Dosage:10.7 mg/mL
Administration:Intraperitoneal injection; daily; for two weeks
Result:Inhibited tumor growth in Panc02 tumor burden mice.
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