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Pifithrin-alpha . HBr

CAT: 0498-bs-75340C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75340C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63208-82-2
Conjugation
Unconjugated
Purity
>98% (HPLC + NMR)
Buffer
Solid
Solubility
Soluble in DMSO or 100% ethanol.
Smiles
[Br].CC1=CC=C(C=C1)C(=O)CN1C(=N)SC2=C1CCCC2
Molecular Formula
C16H18N2OS . HBr
Molecular Weight
286.4 . 80.9
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

Pifithrin

Pifithrin-alpha hydrobromide is a hydrobromide salt prepared from 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone and one equivalent of hydrogen bromide. It is a chemical that inhibits p53-mediated gene activation and apoptosis. It has a role as a p53 inhibitor, a hepatoprotective agent, an apoptosis inhibitor and an aryl hydrocarbon receptor agonist. It contains a 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium.

CAS Number63208-82-2
PubChem CID9929138
IUPAC Name2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
Molecular FormulaC16H19BrN2OS
Molecular Weight367.3
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity449
SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br
InChI
InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
InChIKey
HAGVCKULCLQGRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pifithrin
CAS: 63208-82-2
CID: 9929138
Formula: C16H19BrN2OS
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass366.04015
Monoisotopic Mass366.04015
Topological Polar Surface Area69.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity449
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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