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MedKoo Cat#: 328080 | Name: Albaconazole

Description:

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

Albaconazole, also known as UR-9825; W-0027, is a 14alpha-Demethylase inhibitor potentially for the treatment of fungal infection.

Chemical Structure

Albaconazole
Albaconazole
CAS#187949-02-6

Theoretical Analysis

MedKoo Cat#: 328080

Name: Albaconazole

CAS#: 187949-02-6

Chemical Formula: C20H16ClF2N5O2

Exact Mass: 431.0961

Molecular Weight: 431.83

Elemental Analysis: C, 55.63; H, 3.73; Cl, 8.21; F, 8.80; N, 16.22; O, 7.41

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Albaconazole; UR-9825; W-0027; UR9825; W 0027.
IUPAC/Chemical Name
7-Chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-one
InChi Key
UHIXWHUVLCAJQL-MPBGBICISA-N
InChi Code
InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
SMILES Code
O=C1N([C@H](C)[C@@](O)(C2=CC=C(F)C=C2F)CN3N=CN=C3)C=NC4=C1C=CC(Cl)=C4
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
Certificate of Analysis
View CoA: current batch, Lot#T20R06C23
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 431.83 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
1: Dietz AJ, Barnard JC, van Rossem K. A randomized, double-blind, multiple-dose, placebo-controlled, dose escalation study with a 3-cohort parallel group design to investigate the tolerability and pharmacokinetics of albaconazole in healthy subjects. Clin Pharmacol Drug Dev. 2014 Jan;3(1):25-33. doi: 10.1002/cpdd.72. PubMed PMID: 27128227. 2: Sigurgeirsson B, van Rossem K, Malahias S, Raterink K. A phase II, randomized, double-blind, placebo-controlled, parallel group, dose-ranging study to investigate the efficacy and safety of 4 dose regimens of oral albaconazole in patients with distal subungual onychomycosis. J Am Acad Dermatol. 2013 Sep;69(3):416-25. doi: 10.1016/j.jaad.2013.03.021. PubMed PMID: 23706639. 3: Guillon R, Pagniez F, Picot C, Hédou D, Tonnerre A, Chosson E, Duflos M, Besson T, Logé C, Le Pape P. Discovery of a novel broad-spectrum antifungal agent derived from albaconazole. ACS Med Chem Lett. 2013 Jan 17;4(2):288-92. doi: 10.1021/ml300429p. PubMed PMID: 24900660; PubMed Central PMCID: PMC4027234. 4: van Rossem K, Lowe JA. A Phase 1, randomized, open-label crossover study to evaluate the safety and pharmacokinetics of 400 mg albaconazole administered to healthy participants as a tablet formulation versus a capsule formulation. Clin Pharmacol. 2013;5:23-31. doi: 10.2147/CPAA.S39600. PubMed PMID: 23390369; PubMed Central PMCID: PMC3564460. 5: Pasqualotto AC, Thiele KO, Goldani LZ. Novel triazole antifungal drugs: focus on isavuconazole, ravuconazole and albaconazole. Curr Opin Investig Drugs. 2010 Feb;11(2):165-74. Review. PubMed PMID: 20112166. 6: González GM, Robledo E, Garza-González E, Elizondo M, González JG. Efficacy of albaconazole against Candida albicans in a vaginitis model. Antimicrob Agents Chemother. 2009 Oct;53(10):4540-1. doi: 10.1128/AAC.00565-09. PubMed PMID: 19635949; PubMed Central PMCID: PMC2764185. 7: Arechavala AI, Bianchi MH, Robles AM, Santiso G, Negroni R. [Identification and susceptibility against fluconazole and albaconazole of 100 yeasts' strains isolated from vaginal discharge]. Rev Iberoam Micol. 2007 Dec 31;24(4):305-8. Spanish. PubMed PMID: 18095765. 8: Morera-López Y, Torres-Rodríguez JM, Jiménez-Cabello T, Baró-Tomás T. Cryptococcus gattii: in vitro susceptibility to the new antifungal albaconazole versus fluconazole and voriconazole. Med Mycol. 2005 Sep;43(6):505-10. PubMed PMID: 16320494. 9: Guedes PM, Urbina JA, de Lana M, Afonso LC, Veloso VM, Tafuri WL, Machado-Coelho GL, Chiari E, Bahia MT. Activity of the new triazole derivative albaconazole against Trypanosoma (Schizotrypanum) cruzi in dog hosts. Antimicrob Agents Chemother. 2004 Nov;48(11):4286-92. PubMed PMID: 15504854; PubMed Central PMCID: PMC525424. 10: Miller JL, Schell WA, Wills EA, Toffaletti DL, Boyce M, Benjamin DK Jr, Bartroli J, Perfect JR. In vitro and in vivo efficacies of the new triazole albaconazole against Cryptococcus neoformans. Antimicrob Agents Chemother. 2004 Feb;48(2):384-7. PubMed PMID: 14742184; PubMed Central PMCID: PMC321550. 11: Garau M, Pereiro M Jr, del Palacio A. In vitro susceptibilities of Malassezia species to a new triazole, albaconazole (UR-9825), and other antifungal compounds. Antimicrob Agents Chemother. 2003 Jul;47(7):2342-4. PubMed PMID: 12821494; PubMed Central PMCID: PMC161882. 12: Capilla J, Yustes C, Mayayo E, Fernández B, Ortoneda M, Pastor FJ, Guarro J. Efficacy of albaconazole (UR-9825) in treatment of disseminated Scedosporium prolificans infection in rabbits. Antimicrob Agents Chemother. 2003 Jun;47(6):1948-51. PubMed PMID: 12760872; PubMed Central PMCID: PMC155847.