Ibrexafungerp citrate

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MedKoo CAT#: 208449

CAS#: 1965291-08-0 (citrate)

Description: Ibrexafungerp citrate is a triterpenoid antifungal. Similarly to echinocandins, it inhibits the synthesis of 1,3-β-d-glucan. However, it binds to a different site on the enzyme than echinocandins, resulting in limited cross-resistance. Ibrexafungerp exerts concentration-dependent fungicidal activity against Candida species and retains in vitro activity against most fluconazole-resistant strains.

Chemical Structure

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Ibrexafungerp citrate
CAS# 1965291-08-0 (citrate)
Instruction

Theoretical Analysis

MedKoo Cat#: 208449
Name: Ibrexafungerp citrate
CAS#: 1965291-08-0 (citrate)
Chemical Formula: C50H75N5O11
Exact Mass: 921.55
Molecular Weight: 921.170
Elemental Analysis: C, 65.12; H, 8.20; N, 7.59; O, 19.08

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1207753-03-4 (free base)   1965291-08-0 (citrate)    

Synonym: SCY-078 citrate; Ibrexafungerp citrate; SCY-078; SCY078; SCY 078;

IUPAC/Chemical Name: (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-Amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid Citrate

InChi Key: WKIRTJACGBEXBZ-FQGZCCSZSA-N

InChi Code: InChI=1S/C44H67N5O4.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+;/m1./s1

SMILES Code: O=C([C@H]1[C@]2(C)CC=C3[C@]4(C[C@@H](N5N=CN=C5C6=CC=NC=C6)[C@@H]7OC[C@](C)(N)C(C)(C)C)COC[C@]7(C)[C@]4([H])CC[C@]3([H])[C@@]2(C)CC[C@]1(C)[C@@H](C(C)C)C)O.OC(C(O)=O)(CC(O)=O)CC(O)=O

Appearance: To be determined

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 921.17 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Sucher AJ, Thai A, Tran C, Mantena N, Noronha A, Chahine EB. Ibrexafungerp: A new triterpenoid antifungal. Am J Health Syst Pharm. 2022 Sep 9:zxac256. doi: 10.1093/ajhp/zxac256. Epub ahead of print. PMID: 36083109.


2: Grant LM, Orenstein R. Treatment of Recurrent Vulvovaginal Candidiasis With Ibrexafungerp. J Investig Med High Impact Case Rep. 2022 Jan- Dec;10:23247096221123144. doi: 10.1177/23247096221123144. PMID: 36059275; PMCID: PMC9445446.


3: Díaz-García J, Gómez A, Machado M, Alcalá L, Reigadas E, Sánchez-Carrillo C, Pérez-Ayala A, Gómez-García De La Pedrosa E, González-Romo F, Cuétara MS, García-Esteban C, Quiles-Melero I, Zurita ND, Muñoz-Algarra M, Durán-Valle MT, Sánchez-García A, Muñoz P, Escribano P, Guinea J; CANDIMAD Study Group. Blood and intra-abdominal Candida spp. from a multicentre study conducted in Madrid using EUCAST: emergence of fluconazole resistance in Candida parapsilosis, low echinocandin resistance and absence of Candida auris. J Antimicrob Chemother. 2022 Aug 29:dkac288. doi: 10.1093/jac/dkac288. Epub ahead of print. PMID: 36031723.


4: Wiederhold NP. Pharmacodynamics, Mechanisms of Action and Resistance, and Spectrum of Activity of New Antifungal Agents. J Fungi (Basel). 2022 Aug 16;8(8):857. doi: 10.3390/jof8080857. PMID: 36012845; PMCID: PMC9410397.


5: Oteseconazole (Vivjoa) for recurrent vulvovaginal candidiasis. Med Lett Drugs Ther. 2022 Aug 8;64(1656):124-126. PMID: 35921077.


6: Díaz-García J, Gómez A, Alcalá L, Reigadas E, Sánchez-Carrillo C, Pérez-Ayala A, Gómez-García de la Pedrosa E, González-Romo F, Merino-Amador P, Cuétara MS, García-Esteban C, Quiles-Melero I, Zurita ND, Muñoz-Algarra M, Sánchez-Romero I, Durán-Valle MT, Sánchez-García A, Alcoceba E, Muñoz P, Escribano P, Guinea J; CANDIMAD study group. Evidence of Fluconazole-Resistant Candida parapsilosis Genotypes Spreading across Hospitals Located in Madrid, Spain and Harboring the Y132F ERG11p Substitution. Antimicrob Agents Chemother. 2022 Aug 16;66(8):e0071022. doi: 10.1128/aac.00710-22. Epub 2022 Jul 19. PMID: 35852369; PMCID: PMC9380585.


7: Logan A, Wolfe A, Williamson JC. Antifungal Resistance and the Role of New Therapeutic Agents. Curr Infect Dis Rep. 2022;24(9):105-116. doi: 10.1007/s11908-022-00782-5. Epub 2022 Jul 5. PMID: 35812838; PMCID: PMC9255453.


8: Hoenigl M, Sprute R, Arastehfar A, Perfect JR, Lass-Flörl C, Bellmann R, Prattes J, Thompson GR 3rd, Wiederhold NP, Al Obaidi MM, Willinger B, Arendrup MC, Koehler P, Oliverio M, Egger M, Schwartz IS, Cornely OA, Pappas PG, Krause R. Invasive candidiasis: investigational drugs in the clinical development pipeline and mechanisms of action. Expert Opin Investig Drugs. 2022 Aug;31(8):795-812. doi: 10.1080/13543784.2022.2086120. Epub 2022 Jun 15. PMID: 35657026; PMCID: PMC9339492.


9: Quindós G, Miranda-Cadena K, San-Millán R, Borroto-Esoda K, Cantón E, Linares-Sicilia MJ, Hamprecht A, Montesinos I, Tortorano AM, Prigitano A, Vidal- García M, Marcos-Arias C, Guridi A, Sanchez-Reus F, Machuca-Bárcena J, Rodríguez-Iglesias MA, Martín-Mazuelos E, Castro-Méndez C, López-Soria L, Ruiz- Gaitán A, Fernandez-Rivero M, Lorenzo D, Capilla J, Rezusta A, Pemán J, Guarro J, Pereira J, Pais C, Romeo O, Ezpeleta G, Jauregizar N, Angulo D, Eraso E. In Vitro Antifungal Activity of Ibrexafungerp (SCY-078) Against Contemporary Blood Isolates From Medically Relevant Species of Candida: A European Study. Front Cell Infect Microbiol. 2022 May 16;12:906563. doi: 10.3389/fcimb.2022.906563. PMID: 35651755; PMCID: PMC9149255.


10: Daraskevicius J, Petraitis V, Davainis L, Zucenka A. The Feasibility of Ibrexafungerp for the Treatment of Fungal Infections in Patients with Hematological Malignancies. J Fungi (Basel). 2022 Apr 23;8(5):440. doi: 10.3390/jof8050440. PMID: 35628696; PMCID: PMC9144376.