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PT109

CAT: 0013-GTR19240135-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240135-01Size:25 mg
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Description
PT109 is a multikinase inhibitor targeting JNK isoforms (IC50: 0.143-0.831 μM), SGK isoforms, and ROCK2. It exhibits anti-inflammatory and neurogenic properties and has demonstrated antiglioma activity in research by reprogramming GBM cells via the PTBP1/PKM pathway, altering their metabolic profile.
CAS Number
2059104-90-2
Field of Research
Cell Biology, Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1CCC (NC2=CC=CC=3C=NC=CC32) CC1) CCCCC4SSCC4
Molecular Formula
C23H31N3OS2
Molecular Weight
429.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 139297409
CAS Number2059104-90-2
PubChem CID139297409
IUPAC Name5-(dithiolan-3-yl)-N-[4-(isoquinolin-5-ylamino)cyclohexyl]pentanamide
Molecular FormulaC23H31N3OS2
Molecular Weight429.6
XLogP4.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity512
SMILES
C1CC(CCC1NC2=CC=CC3=C2C=CN=C3)NC(=O)CCCCC4CCSS4
InChI
InChI=1S/C23H31N3OS2/c27-23(7-2-1-5-20-13-15-28-29-20)26-19-10-8-18(9-11-19)25-22-6-3-4-17-16-24-14-12-21(17)22/h3-4,6,12,14,16,18-20,25H,1-2,5,7-11,13,15H2,(H,26,27)
InChIKey
DPEHTCLTUJROIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 139297409
CAS: 2059104-90-2
CID: 139297409
Formula: C23H31N3OS2
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass429.19085497
Monoisotopic Mass429.19085497
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity512
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

Alternative Products

CatalogName
T201273-01PT109

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