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DHW-208

CAT: 0013-GTR19274002-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274002-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PI3K-IN-4 is a potent pan-PI3K inhibitor demonstrating high activity across three PI3K isoforms with picomolar IC50 values. It exhibits excellent inhibitory activity against PI3Kα (IC50 = 0.20 nM), PI3Kβ (IC50 = 2.99 nM), PI3Kδ (IC50 = 0.48 nM), and PI3Kγ (IC50 = 0.58 nM), but shows no significant activity against EGFR. By interfering with the PI3K/Akt signaling pathway, PI3K-IN-4 hinders cancer cell proliferation, blocks colony formation, and induces apoptosis (apoptosis) . This compound is applicable in research related to lung cancer, colon cancer, and breast cancer.
CAS Number
2269470-35-9
Smiles
O=S (=O) (NC=1C=C (C=NC1OC) C2=CC=C3N=CN=C (NC=4C=NN (C4) CCO) C3=C2) C5=CC=C (F) C=C5F
Molecular Formula
C25H21F2N7O4S
Molecular Weight
553.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-difluoro-N-[5-[4-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CAS Number2269470-35-9
PubChem CID162663726
IUPAC Name2,4-difluoro-N-[5-[4-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
Molecular FormulaC25H21F2N7O4S
Molecular Weight553.5
XLogP2.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity902
SMILES
COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CN(N=C4)CCO)NS(=O)(=O)C5=C(C=C(C=C5)F)F
InChI
InChI=1S/C25H21F2N7O4S/c1-38-25-22(33-39(36,37)23-5-3-17(26)10-20(23)27)9-16(11-28-25)15-2-4-21-19(8-15)24(30-14-29-21)32-18-12-31-34(13-18)6-7-35/h2-5,8-14,33,35H,6-7H2,1H3,(H,29,30,32)
InChIKey
DUUVJFLCJKWQTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-difluoro-N-[5-[4-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CAS: 2269470-35-9
CID: 162663726
Formula: C25H21F2N7O4S
MW: 553.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass553.13437967
Monoisotopic Mass553.13437967
Topological Polar Surface Area153 Ų
Heavy Atom Count39
Formal Charge0
Complexity902
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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