Products for Research Use Only

PS432

CAT: 0931-T28458-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T28458-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2083630-26-4
Target
Others, PKC
Related Pathways
Cytoskeletal Signaling, Others, Chromatin/Epigenetic
Bioactivity
PS432 is an allosteric inhibitor of atypical PKCs. PS432 targets the PIF-pocket resulting in significantly reduce tumor growth without side effects in mouse xenograft model.
Smiles
C(OCC)(=O)C=1C(N(C(=O)C1O)C2=NC=3C(S2)=CC(C)=CC3)C=4OC(=CC4)C5=CC=C(Cl)C=C5
Molecular Formula
C25H19ClN2O5S
Molecular Weight
494.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[5-(4-chlorophenyl)-2-furanyl]-2,5-dihydro-4-hydroxy-1-(6-methyl-2-benzothiazolyl)-5-oxo-1H-pyrrole-3-carboxylicacidethylester
CAS Number2083630-26-4
PubChem CID124222222
IUPAC Nameethyl 2-[5-(4-chlorophenyl)furan-2-yl]-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2H-pyrrole-3-carboxylate
Molecular FormulaC25H19ClN2O5S
Molecular Weight494.9
XLogP6
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity832
SMILES
CCOC(=O)C1=C(C(=O)N(C1C2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=NC5=C(S4)C=C(C=C5)C)O
InChI
InChI=1S/C25H19ClN2O5S/c1-3-32-24(31)20-21(18-11-10-17(33-18)14-5-7-15(26)8-6-14)28(23(30)22(20)29)25-27-16-9-4-13(2)12-19(16)34-25/h4-12,21,29H,3H2,1-2H3
InChIKey
NBZPOMWJBSLLCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(4-chlorophenyl)-2-furanyl]-2,5-dihydro-4-hydroxy-1-(6-methyl-2-benzothiazolyl)-5-oxo-1H-pyrrole-3-carboxylicacidethylester
CAS: 2083630-26-4
CID: 124222222
Formula: C25H19ClN2O5S
MW: 494.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.9
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass494.0703206
Monoisotopic Mass494.0703206
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity832
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

Related Products

CatalogName
T24676-01PS423