Isavuconazonium sulfate

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MedKoo CAT#: 317107

CAS#: 946075-13-4 (sulfate)

Description: Isavuconazole (BAL4815; trade name Cresemba) is a triazole antifungal drug. Its prodrug, isavuconazonium sulfate (BAL8557), was granted approval by the U.S. Food and Drug Administration (FDA) on March 6, 2015. Isavuconazole has been approved for treatment of invasive aspergillosis and invasive mucormycosis in adults ages 18 years and older. Both infections are caused by mold and fungi common to the environment, and occur in individuals who are immunosuppressed or have other complicating conditions, such as diabetes or lung disease.

Chemical Structure

Isavuconazonium sulfate
CAS# 946075-13-4 (sulfate)

Theoretical Analysis

MedKoo Cat#: 317107
Name: Isavuconazonium sulfate
CAS#: 946075-13-4 (sulfate)
Chemical Formula: C35H36F2N8O9S2
Exact Mass:
Molecular Weight: 814.84
Elemental Analysis: C, 51.59; H, 4.45; F, 4.66; N, 13.75; O, 17.67; S, 7.87

Price and Availability

Size Price Availability Quantity
10.0mg USD 150.0 Same day
25.0mg USD 250.0 Same day
50.0mg USD 450.0 Same day
100.0mg USD 650.0 Same day
200.0mg USD 950.0 Same day
500.0mg USD 1650.0 Same day
1.0g USD 2450.0 2 Weeks
2.0g USD 3850.0 2 Weeks
10.0g USD 7950.0 2 Weeks
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Related CAS #: 338990-84-4 (chloride)   497235-79-7 (chloride HCl)   742049-41-8 (cation)   946075-13-4 (sulfate)    

Synonym: BAL8557; BAL-8557; BAL 8557; isavuconazole; Isavuconazonium sulfate; brand name: Cresemba.

IUPAC/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


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

SMILES Code: C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]

Appearance: Solid powder

Purity: >97% (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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 814.84 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

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1: Regella VRPS, Subramanian VC, Bhetanabhotla SS. Identification and structural characterization of four novel degradation products and a process impurity of isavuconazonium sulfate for injection formulation bulk by LC-ESI-QTOF-MS/MS. Eur J Mass Spectrom (Chichester). 2019 Nov 10:1469066719884402. doi: 10.1177/1469066719884402. [Epub ahead of print] PubMed PMID: 31707848.

2: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from PubMed PMID: 31643955.

3: Van Matre ET, Evans SL, Mueller SW, MacLaren R, Fish DN, Kiser TH. Comparative evaluation of isavuconazonium sulfate, voriconazole, and posaconazole for the management of invasive fungal infections in an academic medical center. Ann Clin Microbiol Antimicrob. 2019 Mar 20;18(1):13. doi: 10.1186/s12941-019-0311-3. PubMed PMID: 30894179; PubMed Central PMCID: PMC6427894.

4: Adamsick ML, Elshaboury RH, Gift T, Mansour MK, Kotton CN, Gandhi RG. Therapeutic drug concentrations of isavuconazole following the administration of isavuconazonium sulfate capsules via gastro-jejunum tube: A case report. Transpl Infect Dis. 2019 Apr;21(2):e13048. doi: 10.1111/tid.13048. Epub 2019 Jan 29. PubMed PMID: 30636363.

5: Pfaller MA, Rhomberg PR, Castanheira M. Direct in vitro comparison of the prodrug isavuconazonium sulfate with the isavuconazole active compound against Aspergillus spp. and 2 rare moulds. Diagn Microbiol Infect Dis. 2018 Sep;92(1):43-45. doi: 10.1016/j.diagmicrobio.2018.04.005. Epub 2018 Apr 13. PubMed PMID: 29735424.

6: Schmitt-Hoffmann AH, Kato K, Townsend R, Potchoiba MJ, Hope WW, Andes D, Spickermann J, Schneidkraut MJ. Tissue Distribution and Elimination of Isavuconazole following Single and Repeat Oral-Dose Administration of Isavuconazonium Sulfate to Rats. Antimicrob Agents Chemother. 2017 Nov 22;61(12). pii: e01292-17. doi: 10.1128/AAC.01292-17. Print 2017 Dec. PubMed PMID: 28971866; PubMed Central PMCID: PMC5700325.

7: Townsend R, Kato K, Hale C, Kowalski D, Lademacher C, Yamazaki T, Akhtar S, Desai A. Two Phase 1, Open-Label, Mass Balance Studies to Determine the Pharmacokinetics of (14) C-Labeled Isavuconazonium Sulfate in Healthy Male Volunteers. Clin Pharmacol Drug Dev. 2018 Feb;7(2):207-216. doi: 10.1002/cpdd.376. Epub 2017 Jul 27. PubMed PMID: 28750160; PubMed Central PMCID: PMC5811773.

8: So W, Kim L, Thabit AK, Nicolau DP, Kuti JL. Physical compatibility of isavuconazonium sulfate with select i.v. drugs during simulated Y-site administration. Am J Health Syst Pharm. 2017 Jan 1;74(1):e55-e63. doi: 10.2146/ajhp150733. Epub 2016 Dec 22. PubMed PMID: 28007722.

9: Murrell D, Bossaer JB, Carico R, Harirforoosh S, Cluck D. Isavuconazonium sulfate: a triazole prodrug for invasive fungal infections. Int J Pharm Pract. 2017 Feb;25(1):18-30. doi: 10.1111/ijpp.12302. Epub 2016 Aug 29. Review. PubMed PMID: 27569742.

10: Kovanda LL, Maher R, Hope WW. Isavuconazonium sulfate: a new agent for the treatment of invasive aspergillosis and invasive mucormycosis. Expert Rev Clin Pharmacol. 2016 Jul;9(7):887-97. doi: 10.1080/17512433.2016.1185361. Epub 2016 May 21. Review. PubMed PMID: 27160418.

11: Isavuconazonium sulfate (Cresemba)--a new antifungal. Med Lett Drugs Ther. 2016 Mar 14;58(1490):37-8. Review. PubMed PMID: 26963156.

12: Walker RC, Zeuli JD, Temesgen Z. Isavuconazonium sulfate for the treatment of fungal infection. Drugs Today (Barc). 2016 Jan;52(1):7-16. doi: 10.1358/dot.2016.52.1.2404002. Review. PubMed PMID: 26937491.

13: Hussar DA, Friedman J. Ceftazidime pentahydrate/avibactam sodium, Isavuconazonium sulfate, and Daclatasvir dihydrochloride. J Am Pharm Assoc (2003). 2016 Jan;56(1):100-3. doi: 10.1016/j.japh.2015.12.003. PubMed PMID: 26802929.

14: McCormack PL. Isavuconazonium: first global approval. Drugs. 2015 May;75(7):817-22. doi: 10.1007/s40265-015-0398-6. Review. PubMed PMID: 25902926.

15: Traynor K. Isavuconazonium sulfate approved for invasive fungal infections. Am J Health Syst Pharm. 2015 Apr 15;72(8):592. doi: 10.2146/news150027. PubMed PMID: 25825173.