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ES-072

CAT: 0013-GTR19239275-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239275-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ES-072 is an orally active, selective EGFR-T790M inhibitor that induces PD-L1 degradation via GSK3α-mediated phosphorylation and ARIH1-dependent ubiquitination. This dual action suppresses NSCLC cell proliferation in vitro and enhances anti-tumor immunity, supporting its research in targeted therapy and immuno-oncology.
CAS Number
2089721-94-6
Field of Research
Cardiovascular Research, Cell Biology, Immunology & Inflammation, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (C=C) NC1=CC=CC (=C1) NC2=NC (=NC=C2C (F) (F) F) NC=3C=CC (=NC3OC) N4CCN (C) CC4
Molecular Formula
C25H27F3N8O2
Molecular Weight
528.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[[2-[[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CAS Number2089721-94-6
PubChem CID135267949
IUPAC NameN-[3-[[2-[[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC25H27F3N8O2
Molecular Weight528.5
XLogP4.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity782
SMILES
CN1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC
InChI
InChI=1S/C25H27F3N8O2/c1-4-21(37)30-16-6-5-7-17(14-16)31-22-18(25(26,27)28)15-29-24(34-22)32-19-8-9-20(33-23(19)38-3)36-12-10-35(2)11-13-36/h4-9,14-15H,1,10-13H2,2-3H3,(H,30,37)(H2,29,31,32,34)
InChIKey
UIZDHKKJNUARGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[[2-[[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CAS: 2089721-94-6
CID: 135267949
Formula: C25H27F3N8O2
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass528.22090662
Monoisotopic Mass528.22090662
Topological Polar Surface Area108 Ų
Heavy Atom Count38
Formal Charge0
Complexity782
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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