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Antibacterial agent 227

CAT: 0804-HY-161797Size: 1 EachDry Ice: NoHazardous: No
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Description
Antibacterial agent 227 (Compd 29) is a SerRS (Seryl-tRNA synthetase) inhibitor. Antibacterial agent 227 has a significant inhibitory effect on the growth of planktonic and biofilm culture of Staphylococcus aureus 25923 with MIC (minimum inhibitory concentration) value of 32 µg/ml. Antibacterial agent 227 can be proposed as effective antiseptic toward multidrug-resistant biofilm-forming S. aureus isolates[1].
CAS Number
301304-67-6
UNSPSC
12352005
Target
Aminoacyl-tRNA Synthetase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antibacterial-agent-227.html
Smiles
O=C(N1)C(C)=NN=C1N/N=C/C2=C(O)C(OC)=CC=C2
Molecular Formula
C12H13N5O3
Molecular Weight
275.26
References & Citations
[1]Volynets GP, et al. Identification of novel antistaphylococcal hit compounds. J Antibiot (Tokyo) . 2024 Jun 25.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
CAS Number301304-67-6
PubChem CID135454494
IUPAC Name3-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
Molecular FormulaC12H13N5O3
Molecular Weight275.26
XLogP0.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity460
SMILES
CC1=NN=C(NC1=O)N/N=C/C2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C12H13N5O3/c1-7-11(19)14-12(17-15-7)16-13-6-8-4-3-5-9(20-2)10(8)18/h3-6,18H,1-2H3,(H2,14,16,17,19)/b13-6+
InChIKey
OFUZDJSGGHQILN-AWNIVKPZSA-N
Chemical Structure
2D Structure
2D structure of 3-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
CAS: 301304-67-6
CID: 135454494
Formula: C12H13N5O3
MW: 275.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.26
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass275.10183929
Monoisotopic Mass275.10183929
Topological Polar Surface Area108 Ų
Heavy Atom Count20
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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