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ET516

CAT: 0931-T86384-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86384-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2820120-95-2
Target
Androgen Receptor
Related Pathways
Endocrinology/Hormones
Bioactivity
ET516 is a strong inhibitor of the Androgen Receptor, effectively halting the proliferation and tumor growth of prostate cancer cells that express AR-resistant mutants [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
HY-160020-01ET516

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