MedKoo Cat#: 463873 | Name: Opelconazole
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Opelconazole, also known as PC-945, is an antifungal agent designed for inhalation therapy, targeting pulmonary fungal infections. Its mechanism of action involves the inhibition of lanosterol 14α-demethylase (CYP51A1), an enzyme crucial for ergosterol synthesis, thereby disrupting fungal cell membrane integrity and hindering growth. In vitro studies have demonstrated opelconazole's broad-spectrum antifungal activity against various pathogens, including Candida species (such as C. albicans, C. glabrata, C. krusei, and the multidrug-resistant C. auris), Cryptococcus neoformans, and Aspergillus species (notably A. fumigatus, A. carbonarius, and A. flavus).

Chemical Structure

Opelconazole
Opelconazole
CAS#1931946-73-4

Theoretical Analysis

MedKoo Cat#: 463873

Name: Opelconazole

CAS#: 1931946-73-4

Chemical Formula: C38H37F3N6O3

Exact Mass: 682.2879

Molecular Weight: 682.75

Elemental Analysis: C, 66.85; H, 5.46; F, 8.35; N, 12.31; O, 7.03

Price and Availability

Size Price Availability Quantity
5mg USD 950.00 2 Weeks
10mg USD 1,650.00 2 Weeks
50mg USD 2,950.00 2 Weeks
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Related CAS #
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Synonym
Opelconazole; Opelconazolum; Opelconazol; PC-945; PC 945; PC945;
IUPAC/Chemical Name
4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)-3-methylphenyl)piperazin-1-yl)-N-(4-fluorophenyl)benzamide
InChi Key
OSAMZQJKSCAOHA-CWRQMEKBSA-N
InChi Code
InChI=1S/C38H37F3N6O3/c1-26-18-33(46-16-14-45(15-17-46)32-9-2-28(3-10-32)37(48)44-31-7-4-29(39)5-8-31)11-13-36(26)49-21-27-20-38(50-22-27,23-47-25-42-24-43-47)34-12-6-30(40)19-35(34)41/h2-13,18-19,24-25,27H,14-17,20-23H2,1H3,(H,44,48)/t27-,38+/m1/s1
SMILES Code
FC1=CC(F)=C(C=C1)[C@]2(C[C@@](COC3=C(C)C=C(N4CCN(C5=CC=C(C(NC6=CC=C(F)C=C6)=O)C=C5)CC4)C=C3)([H])CO2)CN7N=CN=C7
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Notably, opelconazole has exhibited superior potency compared to established azoles like posaconazole, itraconazole, and voriconazole, particularly against both azole-susceptible and azole-resistant strains of A. fumigatus. In a study involving 96 clinical isolates of A. fumigatus, opelconazole was found to be 2.5 times more potent than voriconazole and demonstrated comparable efficacy to posaconazole. In vivo efficacy has been substantiated through studies in immunocompromised mouse models, where intranasal administration of opelconazole significantly outperformed voriconazole and posaconazole in combating A. fumigatus infections. Additionally, opelconazole has shown a remarkable 47-fold increase in potency over the current first-line standard-of-care treatments.

Preparing Stock Solutions

The following data is based on the product molecular weight 682.75 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL