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ET516

CAT: 0804-HY-160020-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-160020-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ET516 is a potent inhibitor of Androgen Receptor. ET516 significantly inhibits the proliferation and tumor growth of prostate cancer cells expressing AR-resistant mutants[1].
CAS Number
2820120-95-2
UNSPSC
12352005
Target
Androgen Receptor
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/et516.html
Purity
99.13
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=CC(C(C)(C)C2=CC=C(C=C2)C#CC3=CN=C(NS(=O)(C)=O)N=C3)=CC(Cl)=C1OCCCl
Molecular Formula
C25H22Cl2N4O3S
Molecular Weight
529.44
References & Citations
[1]Xie J, et al. Targeting androgen receptor phase separation to overcome antiandrogen resistance. Nat Chem Biol. 2022 Dec;18 (12) :1341-1350.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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