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ARD-266

CAT: 0013-GTR19226881-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226881-02Size:5 mg
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Description
ARD-266 is a VHL-based PROTAC that induces the degradation of androgen receptor (AR) proteins. It is a research tool for investigating AR-dependent pathways and has demonstrated activity in both in vitro and in vivo models of prostate cancer.
CAS Number
2666951-70-6
Product Name Alternative
ARD266, ARD-266, ARD 266, VHL
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.89% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:5 mg/mL (5.46 mM) ; DMSO:80 mg/mL (87.38 mM)
Smiles
O ([C@@H]1C (C) (C) [C@@H] (NC (=O) C2=CC=C (C#CC3CCN (C (C[C@H] (NC (=O) [C@H]4N (C ([C@H] ([C@H] (C) C) C=5ON=C (C) C5) =O) C[C@H] (O) C4) C6=CC=CC=C6) =O) CC3) C=C2) C1 (C) C) C7=CC (Cl) =C (C#N) C=C7
Molecular Formula
C52H59ClN6O7
Molecular Weight
915.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CAS Number2666951-70-6
PubChem CID145996519
IUPAC Name(2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC52H59ClN6O7
Molecular Weight915.5
XLogP7.6
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count66
Formal Charge0
Complexity1830
SMILES
CC1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(=O)N3CCC(CC3)C#CC4=CC=C(C=C4)C(=O)NC5C(C(C5(C)C)OC6=CC(=C(C=C6)C#N)Cl)(C)C)C7=CC=CC=C7)O
InChI
InChI=1S/C52H59ClN6O7/c1-31(2)45(43-25-32(3)57-66-43)48(64)59-30-38(60)26-42(59)47(63)55-41(35-11-9-8-10-12-35)28-44(61)58-23-21-34(22-24-58)14-13-33-15-17-36(18-16-33)46(62)56-49-51(4,5)50(52(49,6)7)65-39-20-19-37(29-54)40(53)27-39/h8-12,15-20,25,27,31,34,38,41-42,45,49-50,60H,21-24,26,28,30H2,1-7H3,(H,55,63)(H,56,62)/t38-,41+,42+,45-,49?,50?/m1/s1
InChIKey
RTNONCBKGZNCJS-WPVVNVAYSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CAS: 2666951-70-6
CID: 145996519
Formula: C52H59ClN6O7
MW: 915.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight915.5
XLogP37.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass914.4133759
Monoisotopic Mass914.4133759
Topological Polar Surface Area178 Ų
Heavy Atom Count66
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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