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MedKoo Cat#: 534630 | Name: CYP51

Description:

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

CYP51 is a novel fungal lanosterol 14α-demethylase (CYP51)/histone deacetylase dual inhibitor, blocking ergosterol biosynthesis and HDAC catalytic activity in fungus, suppressing the function of efflux pump, yeast-to-hypha morphological transition, and biofilm formation.

Chemical Structure

CYP51
CYP51
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 534630

Name: CYP51

CAS#: N/A

Chemical Formula: C30H33F2N5O5

Exact Mass: 581.2450

Molecular Weight: 581.62

Elemental Analysis: C, 61.95; H, 5.72; F, 6.53; N, 12.04; O, 13.75

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
CYP51; CYP-51; CYP 51; HDAC-IN-15j
IUPAC/Chemical Name
2-(4-(3-(4-(((2-(2,4-Difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)(methyl)amino)methyl)phenoxy)propoxy)phenyl)-N-hydroxyacetamide
InChi Key
UVYCRTBNTSJPHN-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38)
SMILES Code
O=C(NO)CC1=CC=C(OCCCOC2=CC=C(CN(CC(O)(C3=CC=C(F)C=C3F)CN4N=CN=C4)C)C=C2)C=C1
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 581.62 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: Choi JY, Roush WR. Structure Based Design of CYP51 Inhibitors. Curr Top Med Chem. 2017;17(1):30-39. doi: 10.2174/1568026616666160719164933. PMID: 27449014. 2: Rabelo VW, Santos TF, Terra L, Santana MV, Castro HC, Rodrigues CR, Abreu PA. Targeting CYP51 for drug design by the contributions of molecular modeling. Fundam Clin Pharmacol. 2017 Feb;31(1):37-53. doi: 10.1111/fcp.12230. Epub 2016 Aug 24. PMID: 27487199. 3: Weng X, Ma X, Wang Q, Xu K, Hu X, Liu W, Zhang C. Effect of hypothyroidism on CYP51 and FSHR expression in rat ovary. Theriogenology. 2019 Oct 15;138:145-151. doi: 10.1016/j.theriogenology.2019.07.012. Epub 2019 Jul 17. PMID: 31352176. 4: Lepesheva GI, Friggeri L, Waterman MR. CYP51 as drug targets for fungi and protozoan parasites: past, present and future. Parasitology. 2018 Dec;145(14):1820-1836. doi: 10.1017/S0031182018000562. Epub 2018 Apr 12. PMID: 29642960; PMCID: PMC6185833. 5: Mu X, Wen J, Chen Q, Wang Z, Wang Y, Guo M, Yang Y, Xu J, Wei Z, Xia G, Yang M, Wang C. Retinoic acid-induced CYP51 nuclear translocation promotes meiosis prophase I process and is correlated to the expression of REC8 and STAG3 in mice. Biol Open. 2018 Nov 12;7(11):bio035626. doi: 10.1242/bio.035626. PMID: 30420384; PMCID: PMC6262859. 6: Warrilow AGS, Parker JE, Price CL, Rolley NJ, Nes WD, Kelly DE, Kelly SL. Isavuconazole and voriconazole inhibition of sterol 14α-demethylases (CYP51) from Aspergillus fumigatus and Homo sapiens. Int J Antimicrob Agents. 2019 Oct;54(4):449-455. doi: 10.1016/j.ijantimicag.2019.07.011. Epub 2019 Jul 13. PMID: 31310805. 7: Pérez-Cantero A, López-Fernández L, Guarro J, Capilla J. New Insights into the Cyp51 Contribution to Azole Resistance in Aspergillus Section Nigri. Antimicrob Agents Chemother. 2019 Jun 24;63(7):e00543-19. doi: 10.1128/AAC.00543-19. PMID: 31061160; PMCID: PMC6591626. 8: Bernhardt A, Meyer W, Rickerts V, Aebischer T, Tintelnot K. Identification of 14-α-Lanosterol Demethylase (CYP51) in Scedosporium Species. Antimicrob Agents Chemother. 2018 Jul 27;62(8):e02599-17. doi: 10.1128/AAC.02599-17. PMID: 29891611; PMCID: PMC6105797. 9: Liu J, Tian Y, Ding Y, Heng D, Xu K, Liu W, Zhang C. Role of CYP51 in the Regulation of T3 and FSH-Induced Steroidogenesis in Female Mice. Endocrinology. 2017 Nov 1;158(11):3974-3987. doi: 10.1210/en.2017-00249. PMID: 28938463. 10: Lepesheva GI, Waterman MR. CYP51--the omnipotent P450. Mol Cell Endocrinol. 2004 Feb 27;215(1-2):165-70. doi: 10.1016/j.mce.2003.11.016. PMID: 15026190.

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