Synonym
MK-3118; MK 3118; MK3118; SCY-078; SCY078; SCY 078; ibrexafungerp;
IUPAC/Chemical Name
4H-1,4a-Propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid, 15-[(2R)-2-amino-2,3,3-trimethylbutoxy]-8-[(1R)-1,2-dimethylpropyl]- 1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-, (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-
InChi Key
BODYFEUFKHPRCK-ZCZMVWJSSA-N
InChi Code
InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1
SMILES Code
O=C([C@@H]([C@]1(C)CC=C23)[C@]([C@H](C)C(C)C)(C)CC[C@]1(C)[C@@]2([H])CC[C@]4([H])[C@]53COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](N6N=CN=C6C7=CC=NC=C7)C5)O
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
Activity Against Candida spp.:
Candida albicans: MIC (Minimum Inhibitory Concentration) values typically range from 0.06 to 0.5 µg/mL.
Candida glabrata: MIC values range from 0.03 to 1 µg/mL, including strains resistant to fluconazole.
Candida krusei: MIC values are generally 0.03 to 0.25 µg/mL.
Candida auris: Effective against this emerging pathogen, with MIC values around 0.06 to 0.5 µg/mL.
Activity Against Aspergillus spp.:
MIC values for Aspergillus fumigatus are in the range of 0.12 to 4 µg/mL, showing efficacy, though less potent compared to its activity against Candida spp.
Activity against Aspergillus terreus and other Aspergillus spp. is also documented, with MIC values generally below 4 µg/mL.
Activity Against Resistant Strains:
Fluconazole-resistant Candida spp.: Ibrexafungerp retains activity, including against strains resistant to fluconazole due to ERG11 mutations or efflux pumps.
Echinocandin-resistant Candida spp.: Demonstrates some activity, although with higher MIC values.
Key Findings:
Ibrexafungerp targets the β-1,3-glucan synthase enzyme, leading to the inhibition of fungal cell wall synthesis.
It is particularly effective against azole-resistant Candida glabrata and Candida auris, which are of high clinical concern due to multidrug resistance.
Caveats:
MIC values may vary depending on the testing method (e.g., CLSI vs. EUCAST).
While effective in vitro, in vivo efficacy depends on drug concentration at the infection site, immune system involvement, and fungal resistance mechanisms.
