9-ING-41

Alias: 9-ING-41; 9 ING 41; 9ING41

Cat No.:V9740 Purity: ≥98%

COA Product Data Instructions for use SDS

9-ING-41 is a glycogen synthase kinase-3 (GSK-3) inhibitor that induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK-3β.

9-ING-41 Chemical Structure CAS No.: 1034895-42-5
Product category: GSK-3

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

9-ING-41 is a glycogen synthase kinase-3 (GSK-3) inhibitor that induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK-3β. 9-ING-41 has anticancer activity.

Biological Activity I Assay Protocols (From Reference)

Targets	GSK-3β (IC50 = 0.71 μM)
ln Vitro	9-ING-41, a clinically relevant small molecule GSK-3β inhibitor with broad spectrum pre-clinical antitumor activity, suppresses the growth of neuroblastoma cells.[1] 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.[2]
ln Vivo	In a mouse model of MCL, 9-ING-41 has antitumor activity as a single agent.[2] The combination of clinically relevant doses of CPT-11 and 9-ING-41 results in a greater antitumor effect than either agent alone, according to mouse xenograft studies. [1]
Cell Assay	Measurement of cell viability. Relative number of viable cancer cells is determined by measuring the optical density using CellTiter 96 Aqueous One Solution Cell Proliferation Assay kit according to the manufacturer’s instructions. GraphPad Prism 6.0 software is used to determine a GI50 value for each compound using a non-linear regression model with standard slope.
Animal Protocol	6–8 week-old female athymic nude mice 70 mg/kg IP
References	[1]. Anticancer Drugs . 2018 Sep;29(8):717-724. [2]. Blood . 2019 Jul 25;134(4):363-373.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C22H13FN2O5
Molecular Weight	404.347429037094
Exact Mass	404.0808
Elemental Analysis	C, 65.35; H, 3.24; F, 4.70; N, 6.93; O, 19.78
CAS #	1034895-42-5
Related CAS #	1034895-42-5
Appearance	Solid powder
SMILES	CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F
InChi Key	FARXPFGGGGLENU-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
Chemical Name	3-(5-fluorobenzofuran-3-yl)-4-(5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)-1H-pyrrole-2,5-dione
Synonyms	9-ING-41; 9 ING 41; 9ING41
HS Tariff Code	2934.99.9001
Storage	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)	DMSO: 50~81 mg/mL (123.7~200.3 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 2.5 mg/mL (6.18 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.)

Solubility (In Vitro)

DMSO: 50~81 mg/mL (123.7~200.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (6.18 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4731 mL	12.3655 mL	24.7310 mL
	5 mM	0.4946 mL	2.4731 mL	4.9462 mL
	10 mM	0.2473 mL	1.2366 mL	2.4731 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

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

Dosage mg/kg

Average weight of animals g

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Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

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Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Clinical Trial Information

NCT Number	Status	Interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT04218071	Active Recruiting	Drug: Ruxolitinib Drug: 9-ING-41	Myelofibrosis	Actuate Therapeutics Inc.	August 20, 2020	Phase 2
NCT05010629	Recruiting	Drug: 9-ING-41 Drug: Carboplatin	Metastatic Cancer Salivary Gland Cancer	Glenn J. Hanna	September 14, 2021	Phase 2
NCT05077800	Recruiting	Drug: 9-ING-41 Drug: Losartan	Pancreatic Adenocarcinoma	Colin D. Weekes, M.D.	March 21, 2022	Phase 2
NCT03678883	Recruiting	Drug: 9-ING-41 Drug: Doxorubicin.	Cancer Sarcoma	Actuate Therapeutics Inc.	January 4, 2019	Phase 2
NCT05239182	Active Recruiting	Drug: 9-ING-41 Drug: Abraxane	Pancreatic Adenocarcinoma	Anwaar Saeed	January 26, 2022	Phase 2

Biological Data

Inhibition of GSK3 by 9-ING-41 leads to mitotic prophase arrest. Blood. 2019 Jul 25;134(4):363-373.
Aberrant expression of GSK3 proteins in primary lymphoma patient (P) cells and their proliferative response to 9-ING-41. Blood. 2019 Jul 25;134(4):363-373.
Pharmacological inhibition of GSK-3β with 9-ING-41 potentiates the effect of anticancer therapeutics in bladder cancer cells. Sci Rep. 2019 Dec 27;9(1):19977.