1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone

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1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone Basic information
Product Name:1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
Synonyms:1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone;EN219;Ethanone, 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloro-;3,5-bis(4-bromophenyl)-1-(chloroacetyl)-4,5-dihydro-1H-pyrazole
CAS:380351-29-1
MF:C17H13Br2ClN2O
MW:456.56
EINECS:
Product Categories:
Mol File:380351-29-1.mol
1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone Structure
1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone Chemical Properties
Boiling point 510.5±60.0 °C(Predicted)
density 1.70±0.1 g/cm3(Predicted)
storage temp. -20°C
solubility DMF: 10 mg/ml,DMSO: 5 mg/ml,Ethanol: 1 mg/ml
form A crystalline solid
pka-2.09±0.70(Predicted)
color Off-white to light yellow
InChIKeyPREWPJFURADJST-UHFFFAOYSA-N
SMILESBrc1ccc(cc1)C2N(NC(=C2)c3ccc(cc3)Br)C(=O)CCl
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone Usage And Synthesis
UsesEN219 is a moderately selective synthetic covalent ligand against an N-terminal cysteine (C8) of RNF114 with an IC50 of 470 nM. EN219 inhibits RNF114-mediated autoubiquitination and p21 ubiquitination[1].
Biological ActivityEN219 is a synthetic recruiter of the E3 ubiquitin ligase RNF114.1 It binds to cysteine 8 (C8) in the intrinsically disordered region of RNF114 (RNF114-C8; IC50 = 470 nM) and inhibits RNF114-induced autoubiquitination and p21 ubiquitination in a cell-free assay when used at a concentration of 50 μM. EN219 (1 μM) also interacts with cysteine residues in the tubulin β1 chain (TUBB1), heat shock protein 60 (Hsp60), also known as Hsp family D member 1 (HspD1), and histone H3.1 (HIST1H3A) in 231MFP human breast cancer cells in a proteomic profiling assay. It has been linked to the bromodomain and extra terminal domain (BET) inhibitor ligand (+)-JQ1 for use as a proteolysis-targeting chimera (PROTAC) to degrade bromodomain-containing protein 4 (BRD4) in 231MFP cells.
IC 50RNF114: 470 nM (IC50)
storageStore at -20°C
References1.Luo, M., Spradlin, J.N., Boike, L., et al.Chemoproteomics-enabled discovery of covalent RNF114-based degraders that mimic natural product functionCell Chem. Biol.28(4)559-566(2021)
1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone Preparation Products And Raw materials
Tag:1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone(380351-29-1) Related Product Information
MG-115 HERBIMYCIN A taraxasteryl acetate 5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine (13α,17α)-7α-Acetoxy-21,23-epoxy-4,4,8-trimethyl-24-nor-5α-chola-1,14,20,22-tetrene-3,16-dione UBA1 Protein, Human (sf9, His-GST)