Cat. No.: HY-17514S1

Itraconazole-d₃

(Synonyms: R51211-d₃)

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Itraconazole-d₃ (R51211-d₃) is the deuterium labeled Itraconazole (HY-17514). Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC₅₀ of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects. Itraconazole is a oxysterol-binding protein (OSBP) inhibitor.

For research use only. We do not sell to patients.

Purity: 99.62%
CAS No.: 1217512-35-0
Formula: C₃₅H₃₅D₃Cl₂N₈O₄
Molecular Weight:708.65

Storage:

Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month

Itraconazole-d₃ Chemical Structure

CAS No.: 1217512-35-0

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- Cellular Effect
- In Vitro
- Application
Chemical Information
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

Itraconazole-d₃ (R51211-d₃) is the deuterium labeled Itraconazole (HY-17514)^[1]. Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC₅₀ of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects. Itraconazole is a oxysterol-binding protein (OSBP) inhibitor.

All Antibiotic Isoforms :

All Cytochrome P450 Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	>30 μM Compound: ITC	Cytotoxicity against human A549 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay Cytotoxicity against human A549 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay	[PMID: 34388384]
A549	IC₅₀	>50 μM Compound: 2; ILC	Cytotoxicity against human A549 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay Cytotoxicity against human A549 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay	[PMID: 34749201]
A549	IC₅₀	182 μg/mL Compound: IT	Cytotoxicity against human A549 cells after 48 hrs by MTT assay Cytotoxicity against human A549 cells after 48 hrs by MTT assay	[PMID: 24513049]
A549	IC₅₀	3 μM Compound: Itraconazole	Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay	[PMID: 36184028]
C3H 10T1/2	IC₅₀	0.063 μM Compound: 1; ITZ	Inhibition of hedgehog pathway in mouse C3H10T1/2 cells assessed as downregulation of Gli1 mRNA expression after 24 hrs by qPCR method Inhibition of hedgehog pathway in mouse C3H10T1/2 cells assessed as downregulation of Gli1 mRNA expression after 24 hrs by qPCR method	[PMID: 27014922]
CHO	IC₅₀	>40 μM Compound: 2	Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay	[PMID: 24564525]
HEK293	IC₅₀	>250 μM Compound: Itraconazole	Cytotoxicity against human HEK293 cells after 72 hrs by MTT assay Cytotoxicity against human HEK293 cells after 72 hrs by MTT assay	[PMID: 29626797]
HEK-293T	IC₅₀	>50 μM Compound: 2; ILC	Cytotoxicity against human HEK293T cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay Cytotoxicity against human HEK293T cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay	[PMID: 34749201]
Hepatocyte	IC₅₀	0.07 μM Compound: Itraconazole	Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method	[PMID: 24948565]
HepG2	IC₅₀	>50 μM Compound: 2; ILC	Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay	[PMID: 34749201]
HepG2	IC₅₀	142 μg/mL Compound: IT	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	[PMID: 24513049]
HepG2	IC₅₀	7.87 μM Compound: Itraconazole	Antiproliferative activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human HepG2 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay	[PMID: 36184028]
HT-1080	IC₅₀	201.63 μg/mL Compound: IT	Cytotoxicity against human HT1080 cells after 48 hrs by MTT assay Cytotoxicity against human HT1080 cells after 48 hrs by MTT assay	[PMID: 24513049]
HUVEC	GI₅₀	0.4 μM Compound: 1; ITZ	Antiproliferative activity against HUVEC assessed as inhibition of VEGF induced cell proliferation after 72 hrs by MTS assay Antiproliferative activity against HUVEC assessed as inhibition of VEGF induced cell proliferation after 72 hrs by MTS assay	[PMID: 27014922]
HUVEC	IC₅₀	0.17 μM Compound: 1	Anti-angiogenic activity against HUVEC after 24 hrs by scintillation counting based [3H]-thymidine incorporation assay Anti-angiogenic activity against HUVEC after 24 hrs by scintillation counting based [3H]-thymidine incorporation assay	[PMID: 30481027]
HUVEC	IC₅₀	160 nM Compound: 1; ITZ	Antiproliferative activity against HUVEC assessed as inhibition of VEGF induced cell proliferation using methyl-[3H]thymidine after 36 hrs Antiproliferative activity against HUVEC assessed as inhibition of VEGF induced cell proliferation using methyl-[3H]thymidine after 36 hrs	[PMID: 27014922]
HUVEC	IC₅₀	170 nM Compound: 1	Inhibition of NPC1/VDAC1 in HUVEC cells assessed as reduction in cell proliferation pretreated for 24 hrs followed by [3H]thymidine incorporation by scintillation counter method Inhibition of NPC1/VDAC1 in HUVEC cells assessed as reduction in cell proliferation pretreated for 24 hrs followed by [3H]thymidine incorporation by scintillation counter method	[PMID: 32550989]
L02	IC₅₀	>50 μM Compound: Itraconazole	Cytotoxicity against human L02 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay Cytotoxicity against human L02 cells assessed as inhibition of cell proliferation incubated for 48 hrs by MTT assay	[PMID: 36184028]
LLC-PK1	IC₅₀	0.2 μM Compound: Itraconazole	Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay	[PMID: 12699389]
LLC-PK1	IC₅₀	0.7 μM Compound: Itraconazole	Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay	[PMID: 12699389]
LLC-PK1	IC₅₀	2.1 μM Compound: Itraconazole	Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay	[PMID: 12699389]
MCF-10A	IC₅₀	>300 μM Compound: IT	Cytotoxicity against human MCF10A cells after 48 hrs by WST1 assay Cytotoxicity against human MCF10A cells after 48 hrs by WST1 assay	[PMID: 24513049]
MCF7	IC₅₀	>30 μM Compound: ITC	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay Cytotoxicity against human MCF7 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay	[PMID: 34388384]
MCF7	IC₅₀	>50 μM Compound: 2; ILC	Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incubated for 4 hrs by MTT assay	[PMID: 34749201]
Medulloblastoma cell	GI₅₀	0.44 μM Compound: 1; ITZ	Antiproliferative activity against mouse MERP MB cells assessed as cell growth inhibition using methyl-[3H]thymidine after 48 hrs by liquid scintillation spectrophotometry Antiproliferative activity against mouse MERP MB cells assessed as cell growth inhibition using methyl-[3H]thymidine after 48 hrs by liquid scintillation spectrophotometry	[PMID: 27014922]
PBMC	IC₅₀	1.53 μM Compound: Itraconazole	Cytotoxicity against human PBMC assessed as cell viability after 72 hrs by MTT assay Cytotoxicity against human PBMC assessed as cell viability after 72 hrs by MTT assay	[PMID: 24485783]
THLE-2	IC₅₀	>30 μM Compound: ITC	Cytotoxicity against human THLE-2 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay Cytotoxicity against human THLE-2 cells assessed as reduction in cell viability measured after 96 hrs by MTT assay	[PMID: 34388384]
Vero	IC₅₀	>50 μg/mL Compound: ITZ	Cytotoxicity against african green monkey Vero cells after 48 hrs by MTT assay Cytotoxicity against african green monkey Vero cells after 48 hrs by MTT assay	[PMID: 23831506]

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Application

1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.

Chemical Information

CAS No. 1217512-35-0
Unlabeled Cas 84625-61-6
Appearance Solid
Molecular Weight 708.65
Formula C₃₅H₃₅D₃Cl₂N₈O₄
Color White to off-white
SMILES

O=C(N(N=C1)C(C([2H])([2H])[2H])CC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Synonyms

R51211-d₃
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : ≥ 0.5 mg/mL (0.71 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

DMF : ≥ 0.5 mg/mL (0.71 mM)

* "≥" means soluble, but saturation unknown.

View the Complete Stock Solution Preparation Table

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (271 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Dwivedi A, et al. Ultra-performance liquid chromatography electrospray ionization-tandem mass spectrometry method for the simultaneous determination of itraconazole and hydroxy itraconazole in human plasma. J Pharm Anal. 2014 Oct;4(5):316-324. [Content Brief]

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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Itraconazole-d3

All Antibiotic Isoforms

All Cytochrome P450 Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Calculators

Help & FAQs

Itraconazole-d3 Related Classifications

HY-17514S1 Related Classifications

Itraconazole-d₃

Itraconazole-d₃ Related Classifications