Brilacidin HCl | PMX30063 | CAS#1224095-99-1| antibiotic

MedKoo Cat#: 319690 | Name: Brilacidin HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Brilacidin, also known as PMX30063, is an arylamide foldamer designed to replicate the amphiphilic properties of antimicrobial peptides while solving the problems encountered by peptide-based antimicrobials. Brilacidin, a broad-spectrum antibiotic, has potent Gram positive activity and Gram negative coverage, and is highly effective in treating the 'superbug' methicillin-resistant Staphylococcus aureus (MRSA). Brilacidin has low cytotoxicity against mammalian cells selectively targeting bacteria, directly and rapidly disrupting their membranes, resulting in the bacteria's death. Due to this unique mechanism of action (mimicking the host's natural immune response, proven to be successful in fighting off infections over millions of years of evolution), bacterial antibiotic resistance is less likely to develop.

Chemical Structure

Brilacidin HCl

CAS#1224095-99-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 319690

Name: Brilacidin HCl

CAS#: 1224095-99-1 (HCl)

Chemical Formula: C40H54Cl4F6N14O6

Exact Mass: 936.3942

Molecular Weight: 1082.75

Elemental Analysis: C, 44.37; H, 5.03; Cl, 13.10; F, 10.53; N, 18.11; O, 8.87

Price and Availability

Size	Price	Availability
1mg	USD 80.00	Ready to ship
5mg	USD 150.00	Ready to ship
10mg	USD 250.00	Ready to ship
25mg	USD 550.00	Ready to ship
50mg	USD 950.00	Ready to ship
100mg	USD 1,650.00	Ready to ship
200mg	USD 2,950.00	Ready to ship

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Related CAS #

1224095-99-1 (HCl) 1224095-98-0 (free base)

Synonym

PMX30063; PMX-30063; PMX 30063; Brilacidin; Brilacidin HCl; Brilacidin tetrahydrochloride;

IUPAC/Chemical Name

N4,N6-bis(3-(5-guanidinopentanamido)-2-(((R)-pyrrolidin-3-yl)oxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide tetrahydrochloride

InChi Key

QTHBCQCKYVOFDR-PIJQHSLXSA-N

InChi Code

InChI=1S/C40H50F6N14O6.4ClH/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50;;;;/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54);4*1H/t23-,24-;;;;/m1..../s1

SMILES Code

O=C(C1=NC=NC(C(NC2=CC(C(F)(F)F)=CC(NC(CCCCNC(N)=N)=O)=C2O[C@H]3CNCC3)=O)=C1)NC4=CC(C(F)(F)F)=CC(NC(CCCCNC(N)=N)=O)=C4O[C@H]5CNCC5.[H]Cl.[H]Cl.[H]Cl.[H]Cl

Appearance

Solid powder

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

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

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#A21B10C20

QC Data

View QC data: current batch, Lot#A21B10C20

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

Brilacidin tetrahydrochloride (PMX 30063 tetrahydrochloride) is an anti-infective antimicrobial with MIC90s of 1 and 8 μg/mL for Gram-positive bacteria Streptococcus pneumonia and Streptococcus viridans, and MIC90 of 8 and 4 μg/mL for Gram-negative bacteria Haemophilus influenza and Pseudomonas aeruginosa.

In vitro activity:

The potential of brilacidin to exert an antiviral activity against SARS-CoV-2 was assessed using Vero cells as an infection model. The effect of brilacidin treatment on SARS-CoV-2 viral replication was then evaluated in Vero cells by plaque assay. Vero cells were pretreated with brilacidin for 2 h, after which media containing the drug were removed and replaced with virus inoculum (Washington strain 2019-nCoV/USA-WA1/2020). Infection was allowed to progress for 1 h, after which the inoculum was removed and replaced with brilacidin containing media. The data demonstrate that brilacidin treatment resulted in a dose-dependent decrease in infectious viral titer with a maximum of 53% inhibition of virus observed in the presence of the higher concentration of the compound (10 µM) that was tested Reference: Viruses. 2021 Feb 9;13(2):271. https://pubmed.ncbi.nlm.nih.gov/33572467/

In vivo activity:

Rabbits treated with BRI 1% wiped their eyes immediately upon instillation after the second dose and continued for every dose thereafter. This behavioral reaction suggested that BRI 1% appeared to be irritating to the eyes upon instillation. BRI 1% also demonstrated corneal (median score = 2.5) and iris toxicity (median score = 7.5). One rabbit treated with BRI 0.25%, vocalized shortly after the 5th dose. BRI also 0.5% reduced CFU in abraded corneas significantly more than in intact corneas (P = 0.005, M-W) suggesting that the corneal epithelium acts as a barrier for penetration. Reference: J Ocul Pharmacol Ther. Jan-Feb 2016;32(1):23-7. https://pubmed.ncbi.nlm.nih.gov/26501484/

	Solvent	mg/mL	mM
Solubility
	DMSO	83.3	76.96

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 1,082.75 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.

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:

1. Bakovic A, Risner K, Bhalla N, Alem F, Chang TL, Weston WK, Harness JA, Narayanan A. Brilacidin Demonstrates Inhibition of SARS-CoV-2 in Cell Culture. Viruses. 2021 Feb 9;13(2):271. doi: 10.3390/v13020271. PMID: 33572467; PMCID: PMC7916214. 2. Hu Y, Jo H, DeGrado WF, Wang J. Brilacidin, a COVID-19 drug candidate, demonstrates broad-spectrum antiviral activity against human coronaviruses OC43, 229E, and NL63 through targeting both the virus and the host cell. J Med Virol. 2022 May;94(5):2188-2200. doi: 10.1002/jmv.27616. Epub 2022 Feb 2. PMID: 35080027; PMCID: PMC8930451. 3. Kowalski RP, Romanowski EG, Yates KA, Mah FS. An Independent Evaluation of a Novel Peptide Mimetic, Brilacidin (PMX30063), for Ocular Anti-infective. J Ocul Pharmacol Ther. 2016 Jan-Feb;32(1):23-7. doi: 10.1089/jop.2015.0098. Epub 2015 Oct 26. PMID: 26501484; PMCID: PMC4742993.

In vitro protocol:

In vivo protocol:

1. Kowalski RP, Romanowski EG, Yates KA, Mah FS. An Independent Evaluation of a Novel Peptide Mimetic, Brilacidin (PMX30063), for Ocular Anti-infective. J Ocul Pharmacol Ther. 2016 Jan-Feb;32(1):23-7. doi: 10.1089/jop.2015.0098. Epub 2015 Oct 26. PMID: 26501484; PMCID: PMC4742993.

1: Kowalski RP, Romanowski EG, Yates KA, Mah FS. An Independent Evaluation of a Novel Peptide Mimetic, Brilacidin (PMX30063), for Ocular Anti-infective. J Ocul Pharmacol Ther. 2016 Jan-Feb;32(1):23-7. doi: 10.1089/jop.2015.0098. Epub 2015 Oct 26. PubMed PMID: 26501484. 2: Mensa B, Howell GL, Scott R, DeGrado WF. Comparative mechanistic studies of brilacidin, daptomycin, and the antimicrobial peptide LL16. Antimicrob Agents Chemother. 2014 Sep;58(9):5136-45. doi: 10.1128/AAC.02955-14. Epub 2014 Jun 16. PubMed PMID: 24936592; PubMed Central PMCID: PMC4135847.