research use only

Orelabrutinib BTK inhibitor

Name: Orelabrutinib
Brand: Selleck Chemicals
SKU: S9600
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S9600

Orelabrutinib is a potent, orally active and irreversible inhibitor of Bruton's tyrosine kinase (BTK). This compound has potential antineoplastic activity.

Chemical Structure

Molecular Weight: 427.49

Jump to Mechanism of Action Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: S960001 DMSO]86 mg/mL]false]Ethanol]10 mg/mL]false]Water]Insoluble]false Purity: 99.95%

99.95

Related Targets	EGFR VEGFR JAK PDGFR FGFR Src FLT3 HER2 Bcr-Abl HIF ALK Syk FAK VDA
Related Products	Spebrutinib (AVL-292) tirabrutinib(ONO-4059) hydrochloride CGI1746 LFM-A13 CNX-774 BMS-935177 Fenebrutinib (GDC-0853) Branebrutinib (BMS-986195) Evobrutinib BMS-986142 Nemtabrutinib (ARQ 531) Pirtobrutinib (LOXO-305) RN486 BTK inhibitor 1 (Compound 27) NX-2127 ONO-4059 analogue M7583 NX-5948 Poseltinib BGB-8035 Edralbrutinib Atuzabrutinib MT-802 JNJ-64264681 BIIB129 Btk Antibody [M4L24] BTK IN-1 Tolebrutinib PCI 29732 Catadegbrutinib (BGB-16673)

Chemical Information, Storage & Stability

Molecular Weight	427.49	Formula	C₂₆H₂₅N₃O₃	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1655504-04-3	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	ICP-022			Smiles	C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4

Solubility

In vitro
Batch:

DMSO : 86 mg/mL (201.17 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.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	4.300mg/ml (10.06mM)	Taking the 1 mL working solution as an example, add 50 μL of 86 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.710mg/ml (1.66mM)	Taking the 1 mL working solution as an example, add 50 μL of 14.2 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

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 ^[1]
In vitro	Orelabrutinib potently inhibits BTK enzymatic activity with an IC50 value of 1.6 nM. In KINOMEscan assay conducted in parallel at 1 μM against a panel of 456 kinases, this compound only targets BTK with > 90% inhibition while ibrutinib inhibits additional many other kinases including EGFR, TEC and BMX, demonstrating its superior kinase selectivity.^[2]
In vivo	Orelabrutinib has a favorable PK profile with an ideal T1/2 (~1.5-4 h) and good oral bioavailability (~20-80%) as well as prolonged BTK target occupancy in preclinical PK/PD studies. The superior selectivity of this compound translates into improved safety profile and large safety window in the GLP toxicology studies in rats and dogs.^[2]
References	[1] https://doi.org/10.1182/blood-2019-123331 [2] https://cancerres.aacrjournals.org/content/80/16_Supplement/CT132.short

Clinical Trial Information

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

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05491044	Recruiting	CLL/SLL	Peking University People''s Hospital	January 1 2022	Phase 2
NCT05021770	Not yet recruiting	Refractory and Relapsed Primary CNS Lymphoma\|PCNSL\|Non Hodgkin Lymphoma	Huiqiang Huang\|Guangdong 999 Brain Hospital\|Sun Yat-sen University	December 2021	Phase 1\|Phase 2
NCT05020288	Not yet recruiting	Immune Thrombocytopenia\|Bruton''s Tyrosine Kinase	Shandong University	September 1 2021	Phase 2
NCT04441450	Completed	Healthy Volunteers	Beijing InnoCare Pharma Tech Co. Ltd.	July 1 2019	Not Applicable

Tech Support

Handling Instructions

Tel: +1-832-582-8158 Ext:3

If you have any other enquiries, please leave a message.

C1=C0/X	C1:	LOG(C1):
C2=C1/X	C2:	LOG(C2):
C3=C2/X	C3:	LOG(C3):
C4=C3/X	C4:	LOG(C4):
C5=C4/X	C5:	LOG(C5):
C6=C5/X	C6:	LOG(C6):
C7=C6/X	C7:	LOG(C7):
C8=C7/X	C8:	LOG(C8):