Products for Research Use Only

ErSO-TFPy

CAT: 0013-GTR19249459-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249459-02Size:50 mg
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Description
ErSO-TFPy is a potent cytotoxic small molecule that selectively induces necrosis in ERα-positive breast cancer cells via TRPM4 channel activation, disrupting intracellular ion balance. It demonstrates low nanomolar in vitro efficacy and has shown promising antitumor activity in mouse xenograft models, supporting its use in oncology research.
CAS Number
3035547-78-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1[C@@] (C=2C (N1) =C (C (F) (F) F) C=CC2) (N3CC (F) (F) C (F) (F) C3) C4=CC=C (O) C=C4
Molecular Formula
C19H13F7N2O2
Molecular Weight
434.307
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ErSO-TFPy
CAS Number3035547-78-2
PubChem CID168278427
IUPAC Name(3R)-3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one
Molecular FormulaC19H13F7N2O2
Molecular Weight434.3
XLogP4.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity677
SMILES
C1C(C(CN1[C@@]2(C3=C(C(=CC=C3)C(F)(F)F)NC2=O)C4=CC=C(C=C4)O)(F)F)(F)F
InChI
InChI=1S/C19H13F7N2O2/c20-16(21)8-28(9-17(16,22)23)18(10-4-6-11(29)7-5-10)12-2-1-3-13(19(24,25)26)14(12)27-15(18)30/h1-7,29H,8-9H2,(H,27,30)/t18-/m1/s1
InChIKey
PSTKCYQKNLKUBN-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of ErSO-TFPy
CAS: 3035547-78-2
CID: 168278427
Formula: C19H13F7N2O2
MW: 434.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.3
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass434.08652480
Monoisotopic Mass434.08652480
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes