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LY-3381916 IDO/TDO inhibitor

Name: LY-3381916
Brand: Selleck Chemicals
SKU: S8919
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S8919

LY-3381916 (IDO1-IN-5) is a brain penetrated, potent and selective Indoleamine 2,3-dioxygenase 1 (IDO1) inhibitor. This compound exhibits anti-tumor activity.

Chemical Structure

Molecular Weight: 396.45

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

Quality Control

Batch: S891901 DMSO]79 mg/mL]false]Ethanol]20 mg/mL]false]Water]Insoluble]false Purity: 99.82%

99.82

Related Targets	P450 (e.g. CYP17) Dehydrogenase PDE phosphatase PPAR HSP (HSP90) Vitamin Transferase Carbohydrate Metabolism Mitochondrial Metabolism Casein Kinase Serine/threonin kinase Lipoxygenase Phospholipase (e.g. PLA) Retinoid Receptor DPP ACE Peroxidases Fatty Acid Synthase FXR HMG-CoA Reductase Carbonic Anhydrase Lipase Decarboxylase DHFR Hydroxylase PCSK9 OXPHOS ROR Acyltransferase
Related Products	Epacadostat (INCB024360) IDO-IN-2 Indoximod Navoximod Linrodostat (BMS-986205) PF-06840003 LM10 IDO inhibitor 1 Epacadostat (INCB024360) analogue 680C91

Chemical Information, Storage & Stability

Molecular Weight	396.45	Formula	C₂₃H₂₅FN₂O₃	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	2166616-75-5	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	IDO1-IN-5			Smiles	CC(C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F

Solubility

In vitro
Batch:

DMSO : 79 mg/mL ( (199.26 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Ethanol : 20 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.	3.95mg/ml (9.96mM)	Taking the 1 mL working solution as an example, add 50 μL of 79 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.	0.395mg/ml (1.00mM)	Taking the 1 mL working solution as an example, add 50 μL of 7.9 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	IDO1 ^[1]
In vitro	LY3381916 binds to newly synthesized apo-IDO1 lacking heme, but does not inhibit mature heme-bound IDO1. Protein x-ray crystallography confirms that this compound binds to apo-IDO1 where it occupies the heme-binding pocket of IDO1. Modeling of the pre-clinical PK/PD relationship suggests QD dosing of this chemical will maintain greater than 90% inhibition over 24 hours. In addition, due to the favorable properties of the drug, significant central nervous system (CNS) penetration has been measured for this compound.^[1]
References	https://cancerres.aacrjournals.org/content/78/13_Supplement/5245#

Clinical Trial Information

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

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT03343613	Terminated	Solid Tumor\|Non Small Cell Lung Cancer\|Renal Cell Carcinoma\|Triple Negative Breast Cancer	Eli Lilly and Company	November 17 2017	Phase 1

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