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Idarubicin HCl Topoisomerase inhibitor

Name: Idarubicin HCl
Brand: Selleck Chemicals
SKU: S1228
Availability: InStock
Rating: 5 (55 reviews)

Cat.No.S1228

Idarubicin HCl (4-demethoxydaunorubicin (NSC256439, 4-DMDR) HCl) is a hydrochloride salt form of Idarubicin which is an anthracycline antibiotic and a DNA topoisomerase II (topo II) inhibitor for MCF-7 cells with IC50 of 3.3 ng/mL in a cell-free assay. Idarubicin induces mTOR-dependent cytotoxic autophagy.

Chemical Structure

Molecular Weight: 533.95

Jump to Mechanism of Action Cell Culture & Working Concentration Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: Purity: 99.99%

99.99

Related Targets	DNA/RNA Synthesis HDAC PPAR PARP Sirtuin ATM/ATR Casein Kinase eIF MDM2/MDMX DNA-PK DNA alkylator DHFR Telomerase Nucleoside Analog/Antimetabolite Thymidylate Synthase CRISPR/Cas9 RAD51 BMI-1 LIM kinase RNR NUDIX High-mobility Group OGG1 Alkylating Agent MTH1 G-quadruplex SMN FENs WRN Pax
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Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description	PMID
K562 erythroleukemic cells	Cytotoxic assay			Cytotoxic activity against K562 erythroleukemic cells, IC50=0.002 μM	10425093
K562 cells	Cytotoxic assay		5 days	Cytotoxicity against human K562 cells after 5 days by XTT assay, IC50=0.012 μM	18076140
mouse DA-3 cells	Cytotoxic assay		24 h	Cytotoxicity against mouse DA-3 cells after 24 hrs by XTT assay, IC50=2.3 μM	24900668
human ES2 cells	Cytotoxic assay		24 h	Cytotoxicity against human ES2 cells after 24 hrs by XTT assay, IC50=3.2 μM	24900668
human K562 cells	Proliferation assay		72 h	Antiproliferative activity against human K562 cells after 72 hrs, GI50=3.3 μM	25420175
human SKOV3 cells	Cytotoxic assay		24 h	Cytotoxicity against human SKOV3 cells after 24 hrs by XTT assay, IC50=4.5 μM	24900668
HepG2 cells	Function assay			Inhibition of liver stage Plasmodium berghei infection in HepG2 cells, IC50=6.62 μM	22586124
human MCF7 cells	Cytotoxic assay		24 h	Cytotoxicity against human MCF7 cells after 24 hrs by XTT assay, IC50=7.3 μM	24900668
mouse DA-3 cells	Cytotoxic assay	20 μM		Cytotoxicity against mouse DA-3 cells assessed as reduction in cell viability at 20 uM by XTT assay	24900668
neural precursor cells	Function assay			Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	17417631
VERO-E6	Function assay		48 hrs	Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus), CC50=0.2μM	ChEMBL
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	533.95	Formula	C₂₆H₂₇NO₉.HCl	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	57852-57-0	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	4-demethoxydaunorubicin (NSC256439, 4-DMDR) HCl			Smiles	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl

Solubility

In vitro
Batch:

DMSO : 100 mg/mL ( (187.28 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Water : 8 mg/mL

Ethanol : 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.	5.000mg/ml (9.36mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 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.
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.
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.

Mechanism of Action

Features	Idarubicin is a substrate for CYP450 2D6 and 2C9.
Targets/IC₅₀/Ki	Topo II (MCF-7 cells) ^[1] (Cell-free assay) 3.3 ng/mL Multicellular spheroids ^[1] (Cell-free assay) 7.9 ng/mL
In vitro	Idarubicin has significant cytotoxic activity against multicellular spheroids, comparable to the antiproliferative effects on monolayer cells. ^[1] Idarubicin inhibits CYP450 2D6.^[2] Idarubicin is about 57.5-fold and 25-fold more active than doxorubicin and epirubicin, respectively. Idarubicin is able to overcome P-glycoprotein-mediated multidrug resistance. ^[3] Idarubicin inhibits PMN superoxide radical formation. ^[4] Idarubicin could be coupled to the monoclonal antibodies (anti-Ly-2.1, anti-L3T4, or anti-Thy-1) with retention of protein solubility and antibody activity. ^[5] Idarubicin inhibits the proliferation of NALM-6 cells with an IC50 of 12 nM. ^[6]
Kinase Assay	CYP450 metabolism experiments
Kinase Assay	Evaluation of Idarubicin metabolism by the CYP450 isoenzymes 3A4, 2D6, 2C8, 2C9, and 1A2 is completed using isolated human CYP450 proteins for each isoform. The high throughput P450 inhibition testing method is utilized for these evaluations. The metabolism experiments are designed to investigate the following properties of each drug: (1) if Idarubicin is a substrate of the CYP450 3A4, 2C8, 2C9, 1A2 or 2D6 isoenzymes; (2) if metabolism is affected by known inhibitors of each isoenzyme; (3) if Idarubicin is inhibitors of CYP450 isoenzymes; and (4) if caspofungin or itraconazole inhibit the CYP450 metabolism of Idarubicin. Dibenzylfluorescein (DBF) (CYP3A4, CYP2C8, CYP2C9), 3-cyano-7-ethoxycoumarin (Cyp1A2), and 7-methoxy-4-(aminomethyl)-coumarin (MAMC) (CYP2D6) are the known substrates utilized as controls to confirm the respective isoenzyme activity and evaluate the effects of Idarubicin on the isoenzyme activity. In addition, ketoconazole, quercetin, suflaphenazole, furafylline, and quinidine are utilized as control CYP450 inhibitors for 3A4, 2C8, 2C9, 1A2 or 2D6 isoenzymes, respectively. The substrate, inhibitor plus Idarubicin as indicated are added to each protein sample are incubated for 20 minutes- 60 minutes, as recommend by manufacturer, at 37oC. Reactions are stopped with an organic solvent solution and then samples are analyzed by fluorescence plate reader as appropriate. For each experiment, control samples with a known amount of substrate and synthesized metabolite, in the absence of the isoenzyme, are prepared for qualitative comparisons. All experiments are performed in triplicate.
In vivo	Reduction of Idarubicin is dependent upon ketone reductases, and proceeds more stereoselectively than that of most ketones giving rise to the (13S)-epimer almost exclusively. The high stereospecificity in Idarubicin reduction might result from chiral induction due to the presence of asymmetric centres near to the carbonyl group in Idarubicin. ^[7]
References	https://pubmed.ncbi.nlm.nih.gov/16433198/ https://pubmed.ncbi.nlm.nih.gov/15204103/ https://pubmed.ncbi.nlm.nih.gov/9129933/ https://pubmed.ncbi.nlm.nih.gov/2155275/ https://pubmed.ncbi.nlm.nih.gov/2899362/ https://pubmed.ncbi.nlm.nih.gov/7687521/ https://pubmed.ncbi.nlm.nih.gov/1897247/

Clinical Trial Information

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

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05697510	Recruiting	Acute Myeloid Leukemia (AML)	Nantes University Hospital	March 16 2023	Phase 1
NCT02652871	Completed	Leukemia	M.D. Anderson Cancer Center\|Eli Lilly and Company\|High Impact Clinical Research Support Program	May 9 2016	Phase 1

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