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Anti-MRSA agent 2

CAT: 0804-HY-144822Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144822Size:1 Each
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Description
Anti-MRSA agent 2 (compound 14) has highly inhibitory activity against Methicillin-resistant Staphylococcus aureus (MRSA) with MIC of 0.098 μg/ml, and relatively low cytotoxicity in normal cells. Anti-MRSA agent 2 has strong ability to destroy bacterial membrane and bind to genomic DNA[1].
CAS Number
2597082-01-2
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-2.html
Solubility
10 mM in DMSO
Smiles
BrC1=CC2=C(NC3=C2C=C[N+]4=C3C(C5=C4C=CC=C5)=O)C=C1.[Br-]
Molecular Formula
C18H10Br2N2O
Molecular Weight
430.09
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 2
CAS Number2597082-01-2
PubChem CID163408830
IUPAC Name7-bromo-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-nonaen-20-one bromide
Molecular FormulaC18H10Br2N2O
Molecular Weight430.1
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity484
SMILES
C1=CC=C2C(=C1)C(=O)C3=[N+]2C=CC4=C3NC5=C4C=C(C=C5)Br.[Br-]
InChI
InChI=1S/C18H9BrN2O.BrH/c19-10-5-6-14-13(9-10)11-7-8-21-15-4-2-1-3-12(15)18(22)17(21)16(11)20-14;/h1-9H;1H
InChIKey
ZXAOANRXTSMAFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-MRSA agent 2
CAS: 2597082-01-2
CID: 163408830
Formula: C18H10Br2N2O
MW: 430.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass429.91394
Monoisotopic Mass427.91599
Topological Polar Surface Area36.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity484
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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