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P-nitro-Pifithrin-α

CAT: 0931-T21978-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21978-01Size:1 mg
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CAS Number
389850-21-9
Target
TGF-beta/Smad, Others, Caspase, MDM-2/p53
Related Pathways
Others, Stem Cells, Proteases/Proteasome, Apoptosis
Bioactivity
P-nitro-Pifithrin-α is a cell-permeable analog of pifithrin-α, a potent p53 inhibitor. It suppresses p53-mediated TGF-β1 expression in HK-2 cells and inhibits the activation of caspase-3 by Zika virus (ZIKV) strains. Moreover, p-nitro-Pifithrin-α attenuates steatosis and liver injury in mice subjected to a high-fat diet, mitigating the effects of non-alcoholic fatty liver disease [1] [2] [3] [4].
Smiles
Br.[O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N
Molecular Formula
C15H16BrN3O3S
Molecular Weight
398.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

p-nitro-Pifithrin-alpha
CAS Number389850-21-9
PubChem CID11553038
IUPAC Name2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity533
SMILES
C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br
InChI
InChI=1S/C15H15N3O3S.BrH/c16-15-17(12-3-1-2-4-14(12)22-15)9-13(19)10-5-7-11(8-6-10)18(20)21;/h5-8,16H,1-4,9H2;1H
InChIKey
NXPCMOGORSWOLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-nitro-Pifithrin-alpha
CAS: 389850-21-9
CID: 11553038
Formula: C15H16BrN3O3S
MW: 398.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass397.00958
Monoisotopic Mass397.00958
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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