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Anti-MRSA agent 3

CAT: 0804-HY-144823Size: 1 EachDry Ice: NoHazardous: No
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Description
Anti-MRSA agent 3 (compound 18) has highly inhibitory activity against Methicillin-resistant Staphylococcus aureus (MRSA) with MIC of 0.098 μg/ml, and low cytotoxicity in normal cells. Anti-MRSA agent 3 has relatively strong ability to destroy bacterial cell wall and membrane, high binding affinity to bacterial genomic DNA[1].
CAS Number
2416909-42-5
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/anti-mrsa-agent-3.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C3NC4=C(C=C(C(NC5=C6C=CC=CC6=CC=C5)=O)C=C4)C3=CC=[N+]2C7=C1C=CC=C7.[Br-]
Molecular Formula
C29H18BrN3O2
Molecular Weight
520.38
References & Citations
[1]Wang X, et al. Fascaplysin derivatives binding to DNA via unique cationic five-ring coplanar backbone showed potent antimicrobial/antibiofilm activity against MRSA in vitro and in vivo. Eur J Med Chem. 2022;230:114099.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anti-MRSA agent 3
CAS Number2416909-42-5
PubChem CID163408831
IUPAC NameN-naphthalen-1-yl-20-oxo-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene-7-carboxamide bromide
Molecular FormulaC29H18BrN3O2
Molecular Weight520.4
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity815
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=C(C=C3)NC5=C4C=C[N+]6=C5C(=O)C7=CC=CC=C76.[Br-]
InChI
InChI=1S/C29H17N3O2.BrH/c33-28-21-9-3-4-11-25(21)32-15-14-20-22-16-18(12-13-24(22)30-26(20)27(28)32)29(34)31-23-10-5-7-17-6-1-2-8-19(17)23;/h1-16H,(H,31,34);1H
InChIKey
HTLWDYLRLIWLQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-MRSA agent 3
CAS: 2416909-42-5
CID: 163408831
Formula: C29H18BrN3O2
MW: 520.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass519.05824
Monoisotopic Mass519.05824
Topological Polar Surface Area65.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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