| Field | Specification |
|---|---|
| Alternative names | MK 3118 citrate; SCY-078 citrate |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C50H75N5O11 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Ibrexafungerp citrate, also known as MK 3118 citrate and SCY-078 citrate, is an orally active inhibitor of β-1,3-glucan synthesis with potential antifungal activity. It is being investigated as an agent for the treatment of Candida and Aspergillus infections[1]. It is supplied as a white to off-white solid (C50H75N5O11, MW 922.16) at 99.38% purity.
Physical & Chemical Properties
| CAS Number | 1965291-08-0 |
|---|---|
| Molecular Formula | C50H75N5O11 |
| Molecular Weight | 922.16 g/mol |
| Purity | 99.38% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | C[C@@]12[C@@](CC3)([H])[C@@](C[C@](N4C(C5=CC=NC=C5)=NC=N4)([H])[C@@H]1OC[C@](C)(N)C(C)(C)C)(COC2)C([C@@]3([H])[C@]6(CC[C@]7(C)[C@H](C)C(C)C)C)=CC[C@]6([C@@H]7C(O)=O)C.OC(CC(C(O)=O)(O)CC(O)=O)=O |
| Signaling Pathway | Anti-infection |
| Solubility | In Vitro: DMSO: 100 mg/mL (108.44 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, protect from light. In solvent: -80°C, 6 months; -20°C, 1 month (protect from light). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (108.44 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); protect from light; avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (2.71 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (2.71 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (2.71 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
In various Candida spp., Ibrexafungerp citrate (MK 3118 citrate) shows fungicidal activity, with a minimum inhibitory concentration (MIC50) of 0.5 μg/mL[2].
In Vivo
Pharmacokinetic Analysis: Ibrexafungerp citrate (MK 3118 citrate) shows oral bioavailability (mouse 51%, rat 45%, dog 35%) once given orally (mouse 1 mg/kg, rat 5 mg/kg and dog 5 mg/kg)[3]. Moderate half-lives (mouse 5.5, rat 8.7 and, dog 9.3 h) are displayed by Ibrexafungerp citrate (MK 3118 citrate), owing to high plasma clearance (0.68, 0.44, and 0.45 L/h/kg respectively) coupled with large distribution volumes (5.3, 4.7, and 4.1 L/kg respectively), after intravenous dosing (mouse 1 mg/kg, rat 5 mg/kg and dog 5 mg/kg)[3].
| Animal Model | Female CD1 mice, Male and female Han Wister rats, Male and female beagle dogs[3] |
|---|---|
| Dosage | Mice (1 mg/kg), rats (5 mg/kg) and dogs (5 mg/kg) |
| Administration | Intravenous (i.v.) or oral gavage |
| Result | T1/2s of 5.5, 8.7, and 9.3 h for mice, rats, and dogs, respectively. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Multicenter surveillance of antifungal susceptibility of clinical Aspergillus isolates to conventional and novel antifungal agents in Taiwan, 2021-2023. Microbiol Spectr 2026 Apr 21:e0265925. PMID: 42012212
