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Anti-MRSA agent 3

CAT: 0804-HY-144823Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144823Size:1 Each
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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...
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