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STF-1084

CAT: 0013-GTR19258224-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258224-01Size:50 mg
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Description
STF-1084 is an inhibitor that cannot penetrate cells and targets ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (ENPP1) with an apparent Ki of 0.11 μM. It demonstrates selectivity for ENPP1 over ENPP2 and alkaline phosphatase (ALP) with apparent Kis of 5.5 and >100 μM, respectively, and does not affect a panel of 468 kinases at 1 μM. STF-1084 hinders the extracellular breakdown of cGAMP in ENPP1-overexpressing and cGAS-expressing 293T cells, with an IC50 of 0.340 μM, and enhances mRNA expression for the gene encoding IFN-β in CD14+ primary human peripheral blood mononuclear cells (PBMCs) when incubated with conditioned medium from ENPP1-overexpressing and cGAS-expressing 293T cells treated with STF-1084. In a live setting, STF-1084, when combined with ionizing radiation, elevates the proportion of tumor-associated CD11c+ cells among antigen-presenting cells (APCs) in a murine mammary cancer model (4T1) .
CAS Number
2298390-71-1
Field of Research
Metabolism Research
Smiles
O=P (O) (O) CCC1CCN (C=2N=CN=C3C=C (OC) C (OC) =CC32) CC1
Molecular Formula
C17H24N3O5P
Molecular Weight
381.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

{2-[1-(6,7-Dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
CAS Number2298390-71-1
PubChem CID137550544
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonic acid
Molecular FormulaC17H24N3O5P
Molecular Weight381.4
XLogP1.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity497
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CCP(=O)(O)O)OC
InChI
InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey
SNLWMWQNJTVWKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {2-[1-(6,7-Dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
CAS: 2298390-71-1
CID: 137550544
Formula: C17H24N3O5P
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass381.14535787
Monoisotopic Mass381.14535787
Topological Polar Surface Area105 Ų
Heavy Atom Count26
Formal Charge0
Complexity497
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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