Anidulafungin (LY303366)

Alias: LY303366; LY-303366; LY 303366; Vechinocandin; trade name: Eraxis; Ecalta.
Cat No.:V1916 Purity: ≥98%
Anidulafungin (formerly also named as LY303366; Eraxis; Ecalta), a novel semisynthetic echinocandin derivative, which inhibits glucan synthase activity,used as an antifungal drug.
Anidulafungin (LY303366) Chemical Structure CAS No.: 166663-25-8
Product category: Fungal
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

Anidulafungin (formerly also named as LY303366; Eraxis; Ecalta), a novel semisynthetic echinocandin derivative, which inhibits glucan synthase activity, used as an antifungal drug. Anidulafungin has been reported to inhibit systemic isolates of Candida species with the MIC90 values of 0.08μg/ml, 0.32μg/ml, 0.32μg/ml and 5.12μg/ml for C.albicans (n=99), C.glabrata(n=18), C.tropicalis(n=10), and C.parapsilosis (n=10), respectively. In addition, Anidulafungin has been found to be active against Aspergillus species(n=20) with the MIC90 values of ~0.02μg/ml. Apart from these, Anidulafungin has been revealed to inactively restrain with the MIC90 values of >10.24μg/ml and 16μg/ml, for C.neoformans and B.dermatitidis, respectively .

Biological Activity I Assay Protocols (From Reference)
Targets
Antifungal
ln Vitro
Anidulafungin has been reported to inhibit systemic isolates of Candida species with the MIC90 values of 0.08μg/ml, 0.32μg/ml, 0.32μg/ml and 5.12μg/ml for C.albicans (n=99), C.glabrata(n=18), C.tropicalis(n=10), and C.parapsilosis (n=10), respectively. In addition, Anidulafungin has been found to be active against Aspergillus species(n=20) with the MIC90 values of ~0.02μg/ml. Apart from these, Anidulafungin has been revealed to inactively restrain with the MIC90 values of >10.24μg/ml and 16μg/ml, for C.neoformans and B.dermatitidis, respectively.
ln Vivo
NA
Enzyme Assay
Anidulafungin has been reported to inhibit systemic isolates of Candida species with the MIC90 values of 0.08μg/ml, 0.32μg/ml, 0.32μg/ml and 5.12μg/ml for C.albicans (n=99), C.glabrata(n=18), C.tropicalis(n=10), and C.parapsilosis (n=10), respectively. I
Cell Assay
Before being used, fresh stocks of CD101 (previously known as SP 3025, biafungin, and AF-025) are prepared in 100% DMSO. Additionally prepared in 100% DMSO are the comparator antifungals Anidulafungin (ANF), Caspofungin (CSF), and Amphotericin B (AMB).In compliance with CLSI guidelines, MIC assays are carried out using broth microdilution; however, test compounds are prepared at a 50× final assay concentration, and 100 μL assay mixture volumes are employed (2 μL added to 98 μL of broth containing cells at 0.5×103 to 2.5×103 CFU/mL). A representative data set is presented, and each MIC assay is run at least three times. MIC values obtained for WT C. krusei strain ATCC 6258 for AMB, CSF, and ANF are compared with previously published CLSI 24-h broth microdilution QC ranges to evaluate quality control (QC) throughout the study[2].
Animal Protocol
NA
NA
References

[1]. In vitro activity of a new semisynthetic echinocandin, LY-303366, against systemic isolates of Candida species, Cryptococcus neoformans, Blastomyces dermatitidis, and Aspergillus species. Antimicrob Agents Chemother. 1997 Apr;41(4):863-5.

[2]. Characterization of In Vitro Resistance Development to the Novel Echinocandin CD101 in Candida Species. Antimicrob Agents Chemother. 2016 Sep 23;60(10):6100-7.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C58H73N7O17
Molecular Weight
1140.24
Exact Mass
1,139.51
Elemental Analysis
C, 61.09; H, 6.45; N, 8.60; O, 23.85
CAS #
166663-25-8
Related CAS #
166663-25-8
Appearance
Solid powder
SMILES
CCCCCOC1=CC=C(C2=CC=C(C3=CC=C(C(N[C@@H]4C[C@@H](O)[C@@H](O)NC([C@@H]5[C@@H](O)[C@@H](C)CN5C([C@H]([C@@H](O)C)NC([C@H]([C@@H](O)[C@@H](O)C6=CC=C(O)C=C6)NC([C@@H]7C[C@@H](O)CN7C([C@H]([C@@H](O)C)NC4=O)=O)=O)=O)=O)=O)=O)C=C3)C=C2)C=C1
InChi Key
JHVAMHSQVVQIOT-DJLNKZBGSA-N
InChi Code
InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30-,31-,39+,41+,42-,43+,44-,45-,46-,47-,48-,49-,50+,54+/m0/s1
Chemical Name
N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4''-(pentyloxy)-[1,1':4',1''-terphenyl]-4-carboxamide
Synonyms
LY303366; LY-303366; LY 303366; Vechinocandin; trade name: Eraxis; Ecalta.
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL ( ~87.7 mM )
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

Solubility in Formulation 2: 10% DMSO+90% Corn Oil: ≥ 2.5 mg/mL (2.19 mM)

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 0.8770 mL 4.3850 mL 8.7701 mL
5 mM 0.1754 mL 0.8770 mL 1.7540 mL
10 mM 0.0877 mL 0.4385 mL 0.8770 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.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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.
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Biological Data
  • Gradient-plate serial passage MIC plots.[2]. Characterization of In Vitro Resistance Development to the Novel Echinocandin CD101 in Candida Species. Antimicrob Agents Chemother. 2016 Sep 23;60(10):6100-7.
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