Name: JNJ-7706621
Brand: Selleck Chemicals
SKU: S1249
Availability: InStock
Rating: 5 (30 reviews)

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Quality Control

Batch: Purity: 99.99%

99.99

Related Targets	HSP K-Ras PD-1/PD-L1 ROCK Wee1 DNA/RNA Synthesis Microtubule Associated Ras Aurora Kinase Casein Kinase
Other CDK Products	Ro-3306 Dinaciclib AZD4573 Enitociclib (BAY 1251152) SEL120 (SEL120-34A) hydrochloride Samuraciclib (ICEC0942) hydrochloride ON123300 AS2863619 PF-07220060 (CDK4/6-IN-6) SY-5609 INX-315 Tagtociclib (PF-07104091)

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Activity Description
PC3 cells	Function assay	In vitro inhibitory concentration against cell proliferation in human PC-3 (prostate adenocarcinoma) tumor cells, IC50=0.12 μM
HCT116 cells	Function assay	In vitro inhibitory concentration against cell proliferation in human HCT116 (colon carcinoma) tumor cells, IC50=0.25 μM
human HeLa cells	Function assay	In vitro inhibitory concentration against cell proliferation in human HeLa (cervical adenocarcinoma) tumor cells, IC50=0.28 μM
human A375 cells	Proliferation assay	Antiproliferative activity against human A375 cells, IC50=0.447 μM
MDA-MB-231 cells	Function assay	In vitro inhibitory concentration against cell proliferation in various human MDA-MB-231 (breast carcinoma) tumor cells, IC50=0.59 μM
SK-OV-3 cells	Function assay	In vitro inhibitory concentration against cell proliferation in human SK-OV-3 (ovarian adenocarcinoma) tumor cells, IC50=0.75 μM
Click to View More Cell Line Experimental Data

Solubility

In vitro
Batch:

DMSO : 79 mg/mL (200.32 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 3 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection 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.
Homogeneous suspension	0.5% methylcellulose 1 0.2% Tween 80 Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	10.000mg/ml (25.36mM)	Taking the 1 mL working solution as an example, take 10 mg of this product, add it to 1 ml of 0.5% methylcellulose+0.2% Tween 80 clear solution, and mix evenly to make it a uniform suspension. The mixed solution should be used immediately for optimal results.
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.
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.

Chemical Information, Storage & Stability

Molecular Weight	394.36	Formula	C₁₅H₁₂F₂N₆O₃S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	443797-96-4	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

Mechanism of Action

Features	A broad-spectrum inhibitor.
Targets/IC₅₀/Ki	CDK2/CyclinE (Cell-free assay) 3 nM CDK2/CyclinA (Cell-free assay) 4 nM CDK1/CyclinB (Cell-free assay) 9 nM Aurora A (Cell-free assay) 11 nM Aurora B (Cell-free assay) 15 nM CDK3/CyclinE (Cell-free assay) 58 nM VEGFR2 (Cell-free assay) 154 nM CDK6/CyclinD1 (Cell-free assay) 175 nM FGFR2 (Cell-free assay) 226 nM CDK4/CyclinD1 (Cell-free assay) 253 nM GSK-3β (Cell-free assay) 254 nM Tie-2 (Cell-free assay) 465 nM FGFR1 (Cell-free assay) 575 nM VEGFR3 (Cell-free assay) 735 nM
In vitro	JNJ-7706621 also shows some inhibition to VEGF-R2, FGF-R2, and GSK3β, with IC50 of 154-254 nM. This compound shows inhibitory effect on a panel of human cancer cell types, including HeLa, HCT-116, SK-OV-3, PC3, DU145, A375, MDA-MB-231, MES-SA, and MES-SA/Dx5, with IC50 of 112-514 nM, independent of p53, retinoblastoma, or P-glycoprotein status. It is several-fold less potent at inhibiting growth of normal cell types, including MRC-5, HASMC, HUVEC, and HMVEC, with IC50 of 3.67-5.42 μM. In HeLa or U937 cells, this chemical (0.5-3 μM) delays exit from G1, arrests cells in G2-M, induces endoreduplication, activates apoptosis, and reduces colony formation. In a HeLa cell line, incremental treatment with increasing concentrations of this compound leads to a 16-fold resistance, which may be mediated by ABCG2.
Kinase Assay	In vitro kinase assay for CDK1 and Aurora kinases
Kinase Assay	For CDK1 kinase activity, a method is developed using the CDK1/cyclin B complex purified from baculovirus to phosphorylate a biotinylated peptide substrate containing the consensus phosphorylation site for histone H1, which is phosphorylated in vivo by CDK1. Inhibition of CDK1 activity is measured by observing a reduced amount of ³³P-γ-ATP incorporation into the immobilized substrate in streptavidin-coated 96-well scintillating microplates. CDK1 enzyme is diluted in 50 mM Tris-HCl (pH 8), 10 mM MgCl₂, 0.1 mM Na₃VO ₄, 1 mM DTT, 1% DMSO, 0.25 μM peptide, 0.1 μCi per well ³³P-γ-ATP, and 5 μM ATP in the presence or absence of various concentrations of this compound and incubated at 30 °C for 1 hour. The reaction is terminated by washing with PBS containing 100 mM EDTA and plates are counted in a scintillation counter. Linear regression analysis of the percent inhibition by this chemical is used to determine IC50. The Aurora kinase assays are done with 10 μM ATP and a peptide containing a dual repeat of the kemptide phosphorylation motif.
In vivo	In mouse xenograft model of A375 melanoma human tumor, JNJ-7706621 (100 or 125 mg/kg) causes tumor regression.
References	[1] https://pubmed.ncbi.nlm.nih.gov/16204078/ [2] https://pubmed.ncbi.nlm.nih.gov/17041089/ [3] https://pubmed.ncbi.nlm.nih.gov/15974571/

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Handling Instructions

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JNJ-7706621 CDK inhibitor

Chemical Structure

Molecular Weight: 394.36