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DPPY

CAT: 0931-T63486-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63486-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095883-62-6
Target
BTK, Others, EGFR, JAK
Related Pathways
Stem Cells, Others, Angiogenesis, Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, JAK/STAT signaling
Bioactivity
DPPY is a potent inhibitor of PTK that acts on EGFR (IC50<10 nM), BTK (IC50<10 nM), and JAK3 (IC50<10 nM) . DPPY inhibits the proliferation of B-cell lymphoma cells and has potential for investigation in idiopathic pulmonary fibrosis (IPF) .
Smiles
N(C1=NC(NC2=CC=C(NC(CN3CCOCC3)=O)C=C2)=NC=C1Cl)C4=CC(NC(C=C)=O)=CC=C4
Molecular Formula
C25H26ClN7O3
Molecular Weight
507.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PTK-IN-6a
CAS Number2095883-62-6
PubChem CID156014264
IUPAC NameN-[3-[[5-chloro-2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC25H26ClN7O3
Molecular Weight508.0
XLogP3.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity730
SMILES
C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C25H26ClN7O3/c1-2-22(34)29-19-4-3-5-20(14-19)30-24-21(26)15-27-25(32-24)31-18-8-6-17(7-9-18)28-23(35)16-33-10-12-36-13-11-33/h2-9,14-15H,1,10-13,16H2,(H,28,35)(H,29,34)(H2,27,30,31,32)
InChIKey
YULLFCKYQFTWEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PTK-IN-6a
CAS: 2095883-62-6
CID: 156014264
Formula: C25H26ClN7O3
MW: 508.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight508.0
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass507.1785654
Monoisotopic Mass507.1785654
Topological Polar Surface Area121 Ų
Heavy Atom Count36
Formal Charge0
Complexity730
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