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ABM-14

CAT: 0013-GTR19189488-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189488-02Size:50 mg
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Description
ARCC-4 is a PROTAC molecule that induces androgen receptor (AR) degradation by conjugating the AR ligand ABM-14 to a VHL ligand. This bifunctional degrader is a valuable chemical tool for studying AR function in prostate cancer research, applicable in both cellular and in vivo models.
CAS Number
1973408-76-2
Field of Research
Pharmacology & Drug Discovery
Smiles
CC1 (C) N (C (=S) N (C1=O) c1ccc (C#N) c (c1) C (F) (F) F) c1ccc (cc1) -c1ccc (O) cc1
Molecular Formula
C25H18F3N3O2S
Molecular Weight
481.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[3-[4-(4-Hydroxyphenyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CAS Number1973408-76-2
PubChem CID122423026
IUPAC Name4-[3-[4-(4-hydroxyphenyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular FormulaC25H18F3N3O2S
Molecular Weight481.5
XLogP5.5
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity838
SMILES
CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)C3=CC=C(C=C3)O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C
InChI
InChI=1S/C25H18F3N3O2S/c1-24(2)22(33)30(19-10-5-17(14-29)21(13-19)25(26,27)28)23(34)31(24)18-8-3-15(4-9-18)16-6-11-20(32)12-7-16/h3-13,32H,1-2H3
InChIKey
WVKLCXDKHAOSGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-[4-(4-Hydroxyphenyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CAS: 1973408-76-2
CID: 122423026
Formula: C25H18F3N3O2S
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass481.10718249
Monoisotopic Mass481.10718249
Topological Polar Surface Area99.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity838
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

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