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D-106669

CAT: 0013-GTR19241316-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241316-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
D-106669 (comppun 150) is a potent and selective PI3Kα inhibitor with an IC50 of 0.129 μM. It is a valuable research tool for studying PI3K signaling in cancer biology, applicable in both in vitro enzymatic assays and in vivo xenograft models to investigate oncogenic pathways and therapeutic responses.
CAS Number
938444-93-0
Field of Research
Signal Transduction
Smiles
O=C (NC=1N=C2N=C (C=NC2=CC1) NC3=CC=C (C=C3) C) NCC
Molecular Formula
C17H18N6O
Molecular Weight
322.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-106669
CAS Number938444-93-0
PubChem CID16048654
IUPAC Name1-ethyl-3-[3-(4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
Molecular FormulaC17H18N6O
Molecular Weight322.4
XLogP2.4
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
CCNC(=O)NC1=NC2=NC(=CN=C2C=C1)NC3=CC=C(C=C3)C
InChI
InChI=1S/C17H18N6O/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24)
InChIKey
RQBRFKKFZPOBFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D-106669
CAS: 938444-93-0
CID: 16048654
Formula: C17H18N6O
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass322.15420922
Monoisotopic Mass322.15420922
Topological Polar Surface Area91.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
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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