Name: Evobrutinib
Brand: Selleck Chemicals
SKU: S8777
Rating: 5 (5 reviews)

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Quality Control

Batch: S877701 DMSO]86 mg/mL]false]Ethanol]10 mg/mL]false]Water]Insoluble]false Purity: 99.95%

Cited in Nature Medicine for its top-tier quality
COA
NMR
HPLC
SDS
Datasheet

99.95

Related Targets	EGFR VEGFR PDGFR FGFR c-Met Src MEK CSF-1R FLT3 HER2
Other BTK Inhibitors	Catadegbrutinib (BGB-16673) Spebrutinib (AVL-292) tirabrutinib(ONO-4059) hydrochloride CGI1746 LFM-A13 CNX-774 BMS-935177 Fenebrutinib (GDC-0853) Branebrutinib (BMS-986195) Pirtobrutinib (LOXO-305)

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description	PMID
THP1	Function assay		24 hrs	Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HTRF assay, IC50=0.061μM	32083858
PBMC	Function assay		60 mins	Inhibition of BTK in human PBMC cells assessed as reduction in anti-IgM-stimulated CD69 expression on B cells preincubated for 60 mins followed by goat F(ab')2 anti-human IgM stimulation and measured after overnight incubation by flow cytometry, IC50=0.061μM	31368705
B cells	Function assay		60 mins	Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by anti-IgM antibody/IL4 stimulation and measured after 16 hrs by flow cytometry, IC50=0.32μM	32083858
HEK293	Function assay			Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis, Ki=3.1μM	31368705
Sf21	Function assay			Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed in baculovirus infected Sf21 cells, IC50=5.8μM	31368705
BTI-TN-5B1-4	Function assay			Covalent binding affinity to human BTK (382 to 659 residues) expressed in baculovirus infected BTI-TN-5B1-4 insect cells by isothermal calorimetry	31368705
Sf21	Function assay	1 uM		Inhibition of N-terminal His6-tagged full length human BMX expressed in Sf21 cells at 1 uM	31368705
Sf21	Function assay	1 uM		Inhibition of N-terminal His6-tagged human TEC (174 to end aminoacids) expressed in baculovirus infected Sf21 cells at 1 uM	31368705
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	429.51	Formula	C₂₅H₂₇N₅O₂	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1415823-73-2	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	M-2951, MSC-2364447C			Smiles	C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N

Solubility

In vitro
Batch:

DMSO : 86 mg/mL (200.22 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 10 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	BTK (Cell-free assay) 37.9 nM
In vitro	Evobrutinib can inhibit the activity of BTK and prevent the activation of the BCR signaling pathway. It is metabolised via hydroxylation, hydrolysis, O-dealkylation, glucuronidation, and GSH conjugation.
In vivo	Evobrutinib is a novel, highly selective, irreversible BTK inhibitor that potently inhibits BCR- and Fc receptor–mediated signalling.
References	[1] https://pubmed.ncbi.nlm.nih.gov/29457982/ [2] https://www.ncbi.nlm.nih.gov/pubmed/?term=Evobrutinib [3] https://pubmed.ncbi.nlm.nih.gov/30988116/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05248945	Completed	Healthy	Merck Healthcare KGaA Darmstadt Germany an affiliate of Merck KGaA Darmstadt Germany	January 13 2022	Phase 1
NCT04546789	Completed	Hepatic Impairment	Merck Healthcare KGaA Darmstadt Germany an affiliate of Merck KGaA Darmstadt Germany	September 30 2020	Phase 1
NCT04314024	Completed	Healthy	Merck Healthcare KGaA Darmstadt Germany an affiliate of Merck KGaA Darmstadt Germany	May 25 2020	Phase 1
NCT03934502	Completed	Healthy	Merck Healthcare KGaA Darmstadt Germany an affiliate of Merck KGaA Darmstadt Germany	April 15 2019	Phase 1

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Evobrutinib BTK inhibitor

Chemical Structure

Molecular Weight: 429.51