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JH-LPH-33 (Standard)

CAT: 0804-HY-130838RSize: 1 EachDry Ice: NoHazardous: No
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JH-LPH-33 (Standard) is the analytical standard of JH-LPH-33. This product is intended for research and analytical applications. JH-LPH-33, a sulfonyl piperazine analog, is a potent UDP-2,3-diacylglucosamine pyrophosphate hydrolase LpxH inhibitor. JH-LPH-33 displays outstanding antibiotic activity with a MIC value of 0.66 μg/mL[1].
CAS Number
2414590-04-6
UNSPSC
12352005
Target
Antibiotic; Bacterial; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
CC(N1CCC2=C1C=CC(S(=O)(N3CCN(C4=CC(Cl)=CC(C(F)(F)F)=C4)CC3)=O)=C2)=O
Molecular Formula
C21H21ClF3N3O3S
Molecular Weight
487.92
References & Citations
[1]Cho J, et al. Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc Natl Acad Sci U S A. 2020 Feb 25;117 (8) :4109-4116.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

JH-Lph-33
CAS Number2414590-04-6
PubChem CID145946109
IUPAC Name1-[5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
Molecular FormulaC21H21ClF3N3O3S
Molecular Weight487.9
XLogP3.6
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity798
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC(=C4)C(F)(F)F)Cl
InChI
InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3
InChIKey
PDEIRNVIXFZSSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JH-Lph-33
CAS: 2414590-04-6
CID: 145946109
Formula: C21H21ClF3N3O3S
MW: 487.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.9
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass487.0944249
Monoisotopic Mass487.0944249
Topological Polar Surface Area69.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity798
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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