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Pifithrin-β hydrobromide

CAT: 0013-GTR19161793-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161793-01Size:200 mg
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Description
A cyclic analog of Pifithrin-α and a small molecule inhibitor of p53; prevents dexamethasone-induced cell death in murine thymocytes with EC50 of 2.01 uM, sensitizes p53-deficient tumors to radiotherapy and chemotherapy and increases apoptosis in cancer cells.
CAS Number
511296-88-1
Product Name Alternative
Cyclic Pifithrin-α hydrobromide | PFT-β hydrobromide
Purity
>98% (HPLC)
Solubility
DMSO: 26 mg/mL
Smiles
CC1=CC=C (C=C1) C2=CN3C4=C (CCCC4) SC3=N2.Br
Molecular Formula
C16H17BrN2S
Molecular Weight
349.2886
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Imidazo[2,1-b]benzothiazole, 5,6,7,8-tetrahydro-2- (4-methylphenyl) -, hydrobromide (1:1)

Chemical Information

Pifithrin-beta hydrobromide
CAS Number511296-88-1
PubChem CID11515812
IUPAC Name2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide
Molecular FormulaC16H17BrN2S
Molecular Weight349.3
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity327
SMILES
CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2.Br
InChI
InChI=1S/C16H16N2S.BrH/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13;/h6-10H,2-5H2,1H3;1H
InChIKey
SGNCOAOESGSEOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pifithrin-beta hydrobromide
CAS: 511296-88-1
CID: 11515812
Formula: C16H17BrN2S
MW: 349.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass348.02958
Monoisotopic Mass348.02958
Topological Polar Surface Area45.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity327
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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