Brilacidin tetrahydrochloride - ≥98% , CAS No.1224095-99-1

CAS: 1224095-99-1 Cat. No.: B649552 Molecular Weight: 1082.75 EC Number: 830-864-1 PubChem CID: 45275360
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
QTHBCQCKYVOFDR-PIJQHSLXSA-N | Brilacidin (tetrahydrochloride) | Brilacidin tetrahydrochloride | HY-19892A | 4,6-Pyrimidinedicarboxamide, N4,N6-bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3R)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-, h
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Status
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5mg
B649552-5mg
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$300.90
10mg
B649552-10mg
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25mg
B649552-25mg
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50mg
B649552-50mg
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100mg
B649552-100mg
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$3,300.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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. Brilacidin tetrahydrochloride is a defensin mimetic antibiotic compound.

In Vitro

Both Staphylococcus aureus (SA) and Staphylococcus epidermidis (SE) have the lowest minimum inhibitory concentrations among the bacterial groups. The MIC 90 s to Brilacidin for Streptococcus pneumonia (SP), Streptococcus viridians (SV), Moraxella (MS), Haemophilus influenza (HI), Pseudomonas aeruginosa (PA), and Serratia marcescens (SM) are 4, 32, 256, 32, 16, and 128-fold higher, respectively, than SA and SE. Brilacidin has Gram-positive in vitro activity; topical Brilacidin 0.5% is minimally irritating; and Brilacidin 0.5% was equally efficacious as Vancomycin (VAN) in a methicillin-resistant S. aureus (MRSA) keratitis model when the corneal epithelium is removed. Brilacidin acts primarily on the bacterial cell membrane by depolarization. Brilacidin is more potent for Gram-positive bacteria (except SV) than Gram-negative bacteria. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Brilacidin demonstrates dose-dependent ocular toxicity after 7 topical instillations (every 30 min for 3 h) in the NZW rabbit ocular toxicity model. Brilacidin 1% is determined to be Mildly Irritating (23.0), Brilacidin 0.5% (6.5), and Brilacidin 0.25% (4.0) are determined to be Minimally Irritating, while Brilacidin 0.1% (2.0) and TBS (1.0) are determined to be Practically Nonirritating and 0.01% Brilacidin (0.5) is determined to be Nonirritating based on their Maximum mean total scores (MMTS) values. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms
QTHBCQCKYVOFDR-PIJQHSLXSA-N | Brilacidin (tetrahydrochloride) | Brilacidin tetrahydrochloride | HY-19892A | 4, 6-Pyrimidinedicarboxamide, N4, N6-bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3R)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-, h
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
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 bacte
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesC1CNCC1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4OC5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N.Cl.Cl.Cl.Cl
IUPAC Name4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;tetrahydrochloride
InChIKeyQTHBCQCKYVOFDR-PIJQHSLXSA-N
INCHI1S/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
Isomeric SMILES C1CNC[C@@H]1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4O[C@@H]5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N.Cl.Cl.Cl.Cl
Alternate CAS 1224095-99-1
PubChem CID 45275360
MeSH Entry Terms brilacidin;brilacidin tetrahydrochloride;N4,N6-bis(3-((5-(carbamimidoylamino)pentanoyl)amino(-2-((3R)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide;PMX 30063;PMX-30063;PMX-30063 free base;PMX30063;PMX30063 free base
Molecular Weight 1082.75

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAromatic anilides
Alternative Parents Trifluoromethylbenzenes  Pyrimidinecarboxylic acids and derivatives  N-arylamides  Phenoxy compounds  Phenol ethers  2-heteroaryl carboxamides  Alkyl aryl ethers  Fatty amides  Heteroaromatic compounds  Pyrrolidines  Amino acids and derivatives  Guanidines  Secondary carboxylic acid amides  Azacyclic compounds  Carboximidamides  Dialkylamines  Propargyl-type 1,3-dipolar organic compounds  Carbonyl compounds  Hydrocarbon derivatives  Hydrochlorides  Alkyl fluorides  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aromatic anilide - Trifluoromethylbenzene - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Pyrimidine - Fatty amide - Fatty acyl - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Guanidine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboximidamide - Organohalogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 83.33 mg/mL (76.96 mM; Need ultrasonic)
Molecular Weight1082.700 g/mol
XLogP3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass1082.3 Da
Monoisotopic Mass1080.3 Da
Topological Polar Surface Area314.000 Ų
Heavy Atom Count70
Formal Charge0
Complexity1560.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count5
Solution Calculators
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