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Anti-MRSA agent 8

CAT: 0804-HY-156289Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-156289Size:1 Each
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Description
Anti-MRSA agent 8 (Compound 7g) is a DAPG derivative with strong antibacterial activity. Anti-MRSA agent 8 assertes its activity by targeting bacterial cell membranes. Anti-MRSA agent 8 can be used for the research of methicillin-resistant Staphylococcus aureus (MRSA) [1].
CAS Number
3118-36-3
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-8.html
Solubility
10 mM in DMSO
Smiles
CCCCCCC(C1=C(C=C(C(C(CCCCCC)=O)=C1O)O)O)=O
Molecular Formula
C20H30O5
Molecular Weight
350.45
References & Citations
[1]Zhong Y, et al. 2,4-Diacetylphloroglucinol (DAPG) derivatives rapidly eradicate methicillin-resistant staphylococcus aureus without resistance development by disrupting membrane. Eur J Med Chem. 2023 Sep 29;261:115823.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one)
CAS Number3118-36-3
PubChem CID53874057
IUPAC Name1-(3-heptanoyl-2,4,6-trihydroxyphenyl)heptan-1-one
Molecular FormulaC20H30O5
Molecular Weight350.4
XLogP6.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity373
SMILES
CCCCCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCCCCC)O
InChI
InChI=1S/C20H30O5/c1-3-5-7-9-11-14(21)18-16(23)13-17(24)19(20(18)25)15(22)12-10-8-6-4-2/h13,23-25H,3-12H2,1-2H3
InChIKey
HFDHXVRYZWJDOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one)
CAS: 3118-36-3
CID: 53874057
Formula: C20H30O5
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass350.20932405
Monoisotopic Mass350.20932405
Topological Polar Surface Area94.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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