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PT109

CAT: 0931-T201273-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201273-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2059104-90-2
Target
SGK, JNK, ROCK
Related Pathways
Cell Cycle/Checkpoint, Stem Cells, MAPK, Cytoskeletal Signaling, Metabolism
Bioactivity
PT109 is a multikinase inhibitor that targets JNK and other kinases, playing a crucial role in anti-inflammatory, antioxidative, neurogenic, and synaptogenic processes. Specifically, PT109 inhibits JNK isoforms with the following IC50 values: JNK1 at 0.143 μM, JNK2 at 0.831 μM, and JNK3 at 0.285 μM. It also inhibits SGK isoforms (SGK1: IC50=1.34 μM; SGK2: IC50=5.6 μM; SGK3: IC50=26.4 μM) and ROCK2 (IC50=34 μM) . Additionally, PT109 reprograms polymorphic glioblastoma multiforme (GBM) into oligodendroglia via the PTBP1/PKM1/2 pathway and alters the metabolic pattern of GBM to exhibit antiglioma activity.
Smiles
O=C(NC1CCC(NC2=CC=CC=3C=NC=CC32)CC1)CCCCC4SSCC4
Molecular Formula
C23H31N3OS2
Molecular Weight
429.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
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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
GTR19240135-01PT109

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