Fidaxomicin (OPT-80)

Alias: PAR101; OPT80; PAR 101; OPT-80; PAR-101; OPT 80; Dificid; Dificlir; Clostomicin B1; Difimicin; Lipiarmycin; Tiacumicin B

Cat No.:V1465 Purity: ≥98%

COA Product Data Instructions for use SDS

Fidaxomicin (OPT-80) Chemical Structure CAS No.: 873857-62-6
Product category: DNA(RNA) Synthesis

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

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Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

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Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

NMR

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Fidaxomicin (formerlyOPT-80, PAR-101; PAR101; OPT80; Dificid; Dificlir; Clostomicin B1; Difimicin; Lipiarmycin; Tiacumicin B) is a narrow spectrum macrocyclic antibiotic agent and a naturally occuring fermentation product extracted from the actinomycete Dactylosporangium aurantiacum subspecies hamdenesisthat. As an RNA polymerase inhibitor, fidaxomicin binds to the DNA template–RNA polymerase (RNAP) complex before the open RNAP–DNA complex forms, which is when transcription starts.

Biological Activity I Assay Protocols (From Reference)

Targets

RNA polymerase

ln Vitro

Fidaxomicin binds to the DNA template–RNA polymerase (RNAP) complex before the open RNAP–DNA complex forms, which is when transcription starts in order to inhibit RNA polymerase. It will therefore prevent the synthesis of proteins. In turn, this causes susceptible organisms like C. difficile to undergo apoptosis. [1]

ln Vivo

Fidaxomicin's minimum inhibitory concentration for 90% of organisms against C. difficile is between 0.9978 and 2 μg/mL. Following a single dose or several doses, plasma concentrations below the lower limit of quantification demonstrate that fidaxomicin is not systemically absorbed. Fidaxomicin, on the other hand, is found in much higher and concentration-dependent amounts in feces. Tmax = 5.2 ng/mL, Cmax = 2 hours, and AUC = 14 ng•hr/mL. Intestinal microsomes or stomach acid hydrolyze fidaxomicin to produce a less potent metabolite (OP-1118). Fidaxomicin is not metabolized via the cytochrome enzyme system.[1]

Animal Protocol

Male Golden Syrian hamsters (80-100 g, Hamster model for pseudomembranous colitis)
0.2, 1, and 5 mg/kg
Orally, once a day for 5 days, beginning 8 h after infection

References

[1]. Clin Infect Dis . 2012 Feb 15;54(4):568-74.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C52H74CL2O18

Molecular Weight

1058.04

Exact Mass

304.13

Elemental Analysis

C, 54.28; H, 5.04; F, 4.52; N, 13.33; O, 22.83

CAS #

873857-62-6

Related CAS #

873857-62-6

Appearance

Solid powder

SMILES

CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C

InChi Key

ZVGNESXIJDCBKN-UUEYKCAUSA-N

InChi Code

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

Chemical Name

[(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

Synonyms

PAR101; OPT80; PAR 101; OPT-80; PAR-101; OPT 80; Dificid; Dificlir; Clostomicin B1; Difimicin; Lipiarmycin; Tiacumicin B

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 (~94.5 mM)

Water: <1 mg/mL

Ethanol: <1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.36 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 25.0 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: ≥ 2.5 mg/mL (2.36 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.

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.9451 mL	4.7257 mL	9.4514 mL
	5 mM	0.1890 mL	0.9451 mL	1.8903 mL
	10 mM	0.0945 mL	0.4726 mL	0.9451 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.

Calculator

Mass

Concentration

Volume

Molecular Weight*

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

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.

Note： (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.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05201079	Recruiting	Biological: MBK-01 Drug: Dificlir	Recurrent Clostridium Difficile Infection Primary Clostridium Difficile Infection	Mikrobiomik Healthcare Company S.L.	October 29, 2021	Phase 3
NCT05266807	Recruiting	Drug: oral capsulized Fecal Microbiota Transplantation Drug: Vancomycin or Fidaxomicin	Clostridioides Difficile Infection	Benoit Guery	August 16, 2022	Phase 3
NCT02667418	Recruiting	Drug: Fidaxomicin Drug: Vancomycin	Fidaxomicin Difficile	VA Office of Research and Development	December 21, 2015	Phase 4
NCT02083627	Completed	Drug: fidaxomicin BDrug: rosuvastatin	Intestinal Absorption Healthy Subjects	Astellas Pharma Europe B.V.	February 2013	Phase 1
NCT01818141	Active Recruiting	Drug: Vancomycin Drug: Fidaxomicin	Clostridium Difficile Infection	Hartford Hospital	October 17, 2012	Phase 4

Biological Data

A, Inhibition of bacterial RNA polymerase (RNAP) by lipiarmycins (including fidaxomicin) occurs following binding of the holoenzyme to the DNA template, but prior to development of the open DNA-RNAP complex [13]. Clin Infect Dis . 2012 Feb 15;54(4):568-74.