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Laccase-IN-1

CAT: 0804-HY-149614Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-149614Size:1 Each
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Description
Laccase-IN-1 (compound 4b) is an orally active inhibitor of laccase, with the IC50 of 11.3 μM. Laccase-IN-1displays protective and curative effects on apple fruits infected by B. dothidea. Laccase-IN-1 enhances the cell membrane permeability, destroys the mycelial surface morphology and the cell ultrastructure, and reduces the ergosterol and exopolysaccharide contents of B. dothidea[1].
CAS Number
2991094-41-6
UNSPSC
12352005
Target
Endogenous Metabolite; Fungal
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/laccase-in-1.html
Solubility
10 mM in DMSO
Smiles
FC(C=C1)=CC=C1NNC([C@@]2(CC[C@@]3(C2(C)C)C)OC3=O)=O
Molecular Formula
C16H19FN2O3
Molecular Weight
306.33
References & Citations
[1]Yang Z, et al. Design, Synthesis, and Biological Evaluation of Novel Camphor-Based Hydrazide and Sulfonamide Derivatives as Laccase Inhibitors against Plant Pathogenic Fungi/Oomycetes. J Agric Food Chem. 2023;71 (39) :14151-14163.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Laccase-IN-1
CAS Number2991094-41-6
PubChem CID169450106
IUPAC Name(1S,4R)-N'-(4-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Molecular FormulaC16H19FN2O3
Molecular Weight306.33
XLogP3.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity502
SMILES
C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)NNC3=CC=C(C=C3)F
InChI
InChI=1S/C16H19FN2O3/c1-14(2)15(3)8-9-16(14,22-13(15)21)12(20)19-18-11-6-4-10(17)5-7-11/h4-7,18H,8-9H2,1-3H3,(H,19,20)/t15-,16+/m0/s1
InChIKey
AUCBELWAWZMXSU-JKSUJKDBSA-N
Chemical Structure
2D Structure
2D structure of Laccase-IN-1
CAS: 2991094-41-6
CID: 169450106
Formula: C16H19FN2O3
MW: 306.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.33
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass306.13797063
Monoisotopic Mass306.13797063
Topological Polar Surface Area67.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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