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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
Isavuconazonium sulfate (formerly BAL-8557; BAL8557; isavuconazole; Cresemba), the sulfate salt of Isavuconazonium, is the prodrug of isavuconazole (BAL4815) which is an approved triazole-based antifungal drug. It was approved by the U.S. FDA on March 6, 2015 for the treatment of invasive candidiasis/aspergillosis and invasive mucormycosis. Isavuconazole (BAL-4815; RO-0094815) is a water-soluble triazole and the active metabolite of Isavuconazonium. It is a novel and potent inhibitor of CYP3A4 with broad-spectrum antifungal activity.
| ln Vitro |
With EC50 values of 0.001 μM, 0.037 μM, and 0.024 μM, respectively, isavuconazonium sulfate (0.006 nM–50 μM) suppresses the trophoblast activity of three T4-genotype strains of Acanthamoeba (Ma, CDC:V240, and MEEI 0184). Furthermore, three tested strains, Ma, CDC:V240, and MEEI 0184, showed vesicle-extinguishing activity at (100–200 μM; 48 h), with mean minimum vesicle extinguishing concentrations (MCC) of 167.1 μM, 136.0 μM, and 187.5 μM, respectively[2].
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| ln Vivo |
Isavuconazonium sulfate (215 mg/kg; p.o. ; three times daily for four days) exhibits anti-R.delemar virus activity in mucormycosis-infected ICR mice[4].
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| Animal Protocol |
Animal Model: Neutropenic male ICR mouse model of intratracheal infection[4]
Dosage: 215 mg/kg Administration: Oral gavage (p.o.); Three times a day for 4 days. Result: increased the survival rate of R. delemar-infected neutropenic mice. decreased amount of fungi in the mice's brains and lungs. |
| References |
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| Additional Infomation |
Isavuconazonium sulfate is an azaheterocycle sulfate salt that is a prodrug for isavuconazole, an antifungal agent used for the treatment of invasive aspergillosis and invasive mucormycosis. It has a role as a prodrug, an ergosterol biosynthesis inhibitor, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an orphan drug. It is an azaheterocycle sulfate salt, a triazole antifungal drug and a conazole antifungal drug. It contains an isavuconazonium.
Isavuconazonium Sulfate is the sulfate ester form of isavuconazonium, a prodrug of the triazole antifungal agent isavuconazole, with broad-spectrum antifungal activity. Upon administration, isavuconazonium sulfate is hydrolyzed by plasma esterases to yield the active moiety isavuconazole. Isavuconazole binds to and inhibits the fungal cytochrome P450 family enzyme lanosterol 14-alpha-demethylase (CYP51), which catalyzes the demethylation of lanosterol to yield ergosterol, an important component of the fungal cell membrane. Inhibition of CYP51 leads to a decrease in fungal ergosterol production and disrupts synthesis of the fungal cell membrane, which decreases membrane integrity, increases cell membrane permeability and promotes the loss of essential intracellular elements. This results in fungal cell lysis and death. See also: Isavuconazole (has active moiety). Drug Indication Treatment of invasive aspergillosis, Treatment of mucormycosis Treatment of Candida infections |
| Molecular Formula |
C35H36F2N8O9S2
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|---|---|
| Molecular Weight |
814.83500
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| Exact Mass |
814.201
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| Elemental Analysis |
C, 51.59; H, 4.45; F, 4.66; N, 13.75; O, 17.67; S, 7.87
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| CAS # |
946075-13-4
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| Related CAS # |
338990-84-4 (chloride);497235-79-7 (chloride HCl);742049-41-8 (cation);946075-13-4 (sulfate);
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| PubChem CID |
72196309
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| Appearance |
White to off-white solid powder
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| LogP |
5.06
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
17
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
56
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| Complexity |
1290
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| Defined Atom Stereocenter Count |
2
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| SMILES |
S(O)([O-])(=O)=O.[C@@](C1C=C(F)C=CC=1F)(O)(CN1N=C[N+](C(C)OC(=O)N(C2N=CC=CC=2COC(=O)CNC)C)=C1)[C@H](C1SC=C(C2C=CC(C#N)=CC=2)N=1)C
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| InChi Key |
LWXUIUUOMSMZKJ-KLFWAVJMSA-M
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| InChi Code |
InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1
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| Chemical Name |
1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate
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| Synonyms |
BAL8557;BAL 8557; Isavuconazonium sulfate; BAL-8557; Cresemba.
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL ( 122.72 mM )
Water : 0.5~100 mg/mL (~0.61 mM ) Ethanol : 100 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.55 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (2.55 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (2.55 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.08 mg/mL (2.55 mM) Solubility in Formulation 5: 100 mg/mL (122.72 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2272 mL | 6.1362 mL | 12.2723 mL | |
| 5 mM | 0.2454 mL | 1.2272 mL | 2.4545 mL | |
| 10 mM | 0.1227 mL | 0.6136 mL | 1.2272 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03816176 | COMPLETEDWITH RESULTS | Drug: Isavuconazonium sulfate Drug: Isavuconazonium sulfate |
Invasive Aspergillosis Invasive Mucormycosis |
Astellas Pharma Global Development, Inc. | 2019-08-22 | Phase 2 |
| NCT03241550 | COMPLETED | Drug: isavuconazonium sulfate - intravenous Drug: isavuconazonium sulfate - oral |
Hematological Malignancy | Astellas Pharma Global Development, Inc. | 2017-10-02 | Phase 1 |
| NCT04096157 | COMPLETED | Drug: Isavuconazonium sulfate IV Drug: Isavuconazonium sulfate capsules |
Healthy Subjects | Astellas Pharma Global Development, Inc. | 2019-09-24 | Phase 1 |
| NCT02059590 | COMPLETED | Drug: Pyridinylmethyl-14C-labeled isavuconazonium sulfate |
Healthy Subjects Pharmacokinetics of 14C-labeled Isavuconazonium Sulfate |
Astellas Pharma Global Development, Inc. | 2013-04 | Phase 1 |
| NCT03149055 | COMPLETEDWITH RESULTS | Drug: Isavuconazole | Hematologic Malignancy Myeloproliferative Disorder |
Memorial Sloan Kettering Cancer Center |
2017-05-04 | Phase 2 |
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