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PHT-427

CAT: 0013-GTR19164124-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19164124-02Size:1 g
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Description
PHT-427 is a small-molecule Akt inhibitor that binds selectively to the PH domain of AKT with Ki of 2.4 uM, inhibits phospho-Ser473-AKT in Panc-1 cells with IC50 of 6.3 uM; decreases AKT activation and causes apoptosis at low micromolar concentrations in Panc-1 and MiaPaCa-2 pancreatic cancer cell lines; inhibits AKT and its downstream targets in cells, exhibits good antitumor activity in pancreatic cancer cell xenografts in immunocompromised mice.
CAS Number
1191951-57-1
Product Name Alternative
PHT 427 | PHT427
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=S (C1=CC=C (CCCCCCCCCCCC) C=C1) (NC2=NN=CS2) =O
Molecular Formula
C20H31N3O2S2
Molecular Weight
409.609
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzenesulfonamide, 4-dodecyl-N-1,3,4-thiadiazol-2-yl-

Chemical Information

4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

an antineoplastic agent; structure in first source

CAS Number1191951-57-1
PubChem CID44240850
IUPAC Name4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Molecular FormulaC20H31N3O2S2
Molecular Weight409.6
XLogP7.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity474
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2
InChI
InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
InChIKey
BYWWNRBKPCPJMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CAS: 1191951-57-1
CID: 44240850
Formula: C20H31N3O2S2
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass409.18576959
Monoisotopic Mass409.18576959
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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