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PB28

CAT: 0931-T39176Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T39176Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
172906-90-0
Target
Others, Apoptosis, Sigma receptor, SARS-CoV
Related Pathways
Apoptosis, Others, GPCR/G Protein, Microbiology/Virology
Bioactivity
PB28 is a cyclohexylpiperazine derivative that functions as a potent and highly selective agonist of the sigma 2 (σ2) receptor, exhibiting a Ki (binding affinity) of 0.68 nM. At the same time, PB28 acts as an antagonist of the sigma 1 (σ1) receptor, with a Ki of 0.38 nM. PB28 demonstrates a lower affinity for other receptors. It effectively inhibits electrically evoked twitch in both the guinea pig bladder (EC50 value of 2.62 μM) and ileum (EC50 value of 3.96 μM) . Moreover, PB28 exhibits the ability to modulate protein-protein interaction between SARS-CoV-2 and human cells. Additionally, PB28 triggers caspase-independent apoptosis and possesses significant antitumor activity.
Smiles
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Molecular Formula
C24H38N2O
Molecular Weight
370.581
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine

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 (2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. It has a role as an anticoronaviral agent, a sigma-2 receptor agonist, an antineoplastic agent and an apoptosis inducer. It is a member of piperazines, an aromatic ether and a member of tetralins.

CAS Number172906-90-0
PubChem CID10474335
IUPAC Name1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
Molecular FormulaC24H38N2O
Molecular Weight370.6
XLogP5.4
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity428
SMILES
COC1=CC=CC2=C1CCCC2CCCN3CCN(CC3)C4CCCCC4
InChI
InChI=1S/C24H38N2O/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
InChIKey
PHRCDWVPTULQMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CAS: 172906-90-0
CID: 10474335
Formula: C24H38N2O
MW: 370.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass370.298413840
Monoisotopic Mass370.298413840
Topological Polar Surface Area15.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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