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ET516

CAT: 0013-GTR19235392-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235392-01Size:25 mg
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Description
ET516 is a potent small molecule androgen receptor (AR) antagonist effective against prostate cancer cells harboring therapy-resistant AR mutants. It has demonstrated robust anti-proliferative activity in vitro and inhibits tumor growth in vivo, making it a valuable research tool for studying castration-resistant prostate cancer mechanisms.
CAS Number
2820120-95-2
Field of Research
Metabolism Research
Smiles
C (C) (C) (C1=CC (C#N) =C (OCCCl) C (Cl) =C1) C2=CC=C (C#CC=3C=NC (NS (C) (=O) =O) =NC3) C=C2
Molecular Formula
C25H22Cl2N4O3S
Molecular Weight
529.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(5-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenyl)ethynyl)pyrimidin-2-yl)methanesulfonamide
CAS Number2820120-95-2
PubChem CID165368352
IUPAC NameN-[5-[2-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]ethynyl]pyrimidin-2-yl]methanesulfonamide
Molecular FormulaC25H22Cl2N4O3S
Molecular Weight529.4
XLogP5.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity917
SMILES
CC(C)(C1=CC=C(C=C1)C#CC2=CN=C(N=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)Cl)OCCCl)C#N
InChI
InChI=1S/C25H22Cl2N4O3S/c1-25(2,21-12-19(14-28)23(22(27)13-21)34-11-10-26)20-8-6-17(7-9-20)4-5-18-15-29-24(30-16-18)31-35(3,32)33/h6-9,12-13,15-16H,10-11H2,1-3H3,(H,29,30,31)
InChIKey
KNUXMQQPYYHTJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenyl)ethynyl)pyrimidin-2-yl)methanesulfonamide
CAS: 2820120-95-2
CID: 165368352
Formula: C25H22Cl2N4O3S
MW: 529.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass528.0789671
Monoisotopic Mass528.0789671
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity917
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

Alternative Products

CatalogName
T86384-01ET516

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