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EN219

CAT: 0013-GTR19264854-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264854-04Size:10 mg
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Description
EN219 is a synthetic recruiter of the E3 ubiquitin ligase RNF114 and binds specifically to cysteine 8 (C8) within its intrinsically disordered region, exhibiting an IC50 of 470 nM. EN219 inhibits RNF114-induced autoubiquitination and p21 ubiquitination in cell-free assays at 50 μM. At 1 μM, EN219 interacts with multiple proteins including the tubulin β1 chain (TUBB1), heat shock protein 60 (Hsp60/HspD1), and histone H3.1 (HIST1H3A) in 231MFP breast cancer cells. Furthermore, EN219 has been linked to the bromodomain inhibitor (+) -JQ1 for the creation of a PROTAC capable of degrading BRD4 in 231MFP cells.
CAS Number
380351-29-1
Field of Research
Protein Biochemistry
Purity
99.46% (May vary between batches)
Smiles
O=C (N1N=C (C=2C=CC (Br) =CC2) CC1C3=CC=C (Br) C=C3) CCl
Molecular Formula
C17H13Br2ClN2O
Molecular Weight
456.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[3,5-Bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
CAS Number380351-29-1
PubChem CID3413196
IUPAC Name1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
Molecular FormulaC17H13Br2ClN2O
Molecular Weight456.6
XLogP4.7
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCl)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13Br2ClN2O/c18-13-5-1-11(2-6-13)15-9-16(22(21-15)17(23)10-20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2
InChIKey
CXRHMHAKZPJNKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3,5-Bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
CAS: 380351-29-1
CID: 3413196
Formula: C17H13Br2ClN2O
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass455.90627
Monoisotopic Mass453.90832
Topological Polar Surface Area32.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7388-25EN219
HY-115715A-01EN219-alkyne
HY-132992EN219-O-C4-NH2 (TFA)
T208018-01EN219-O-C4-NH2 TFA

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