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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H50F6N14O6.4ClH
Molecular Weight 1082.749
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRILACIDIN TETRAHYDROCHLORIDE

SMILES

Cl.Cl.Cl.Cl.NC(=N)NCCCCC(=O)NC1=C(O[C@@H]2CCNC2)C(NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(NC(=O)CCCCNC(N)=N)=C4O[C@@H]5CCNC5)C(F)(F)F)=CC(=C1)C(F)(F)F

InChI

InChIKey=QTHBCQCKYVOFDR-PIJQHSLXSA-N
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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C40H50F6N14O6
Molecular Weight 936.9056
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Brilacidin (formerly PMX-30063) is a polymer-based antibiotic and an investigational new drug, that was studied in human clinical trials, and represents a new class of antibiotics called host defense protein mimetics. Brilacidin is an antibiotic that works by disrupting bacterial cell membranes, mimicking defensins that play a role in innate immunity. Brilacidin has shown great efficacy in phase II clinical trials against acute Staphylococcus aureus skin and skin structure infections, comparable to that of the lipopeptidic drug daptomycin, which is currently used clinically to treat drug-resistant staph infections. Brilacidin also has potent broad-spectrum activity in vitro against several other Gram-positive and Gram-negative pathogenic bacteria, including several multidrug-resistant strains.

Approval Year

Sample Use Guides

3 mg in 1 ml of Water for Injection, 3 times daily for 7 weeks
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 03:00:02 GMT 2023
Edited
by admin
on Sat Dec 16 03:00:02 GMT 2023
Record UNII
CM3HYX69SK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRILACIDIN TETRAHYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
BRILACIDIN TETRAHYDROCHLORIDE [USAN]
Common Name English
N,N'-BIS(3-((5-(CARBAMIMIDOYLAMINO)PENTANOYL)AMINO(-2-((3R)-PYRROLIDIN-3-YLOXY)-5-(TRIFLUOROMETHYL)PHENYL)PYRIMIDINE-4,6-DICARBOXAMIDE TETRAHYDROCHLORIDE
Common Name English
PMX-30063
Code English
PMX30063
Code English
PMX 30063
Code English
Brilacidin tetrahydrochloride [WHO-DD]
Common Name English
N4,N6-BIS(3-((5-((AMINOIMINOMETHYL)AMINO)-1-OXOPENTYL)AMINO)-2-((3R)-3-PYRROLIDINYLOXY)-5-(TRIFLUOROMETHYL)PHENYL-, HYDROCHLORIDE (1:4)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
Code System Code Type Description
FDA UNII
CM3HYX69SK
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
ChEMBL
CHEMBL2219413
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
SMS_ID
100000175133
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
NCI_THESAURUS
C142966
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
DRUG BANK
DBSALT002930
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
CAS
1224095-99-1
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
PUBCHEM
45275360
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
USAN
ZZ-17
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID50153595
Created by admin on Sat Dec 16 03:00:02 GMT 2023 , Edited by admin on Sat Dec 16 03:00:02 GMT 2023
PRIMARY
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