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LEI-800

CAT: 0013-GTR19236358-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236358-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LEI-800 is a potent DNA gyrase inhibitor with an IC50 of 35 nM. It demonstrates antibacterial activity in vitro, with MICs of 3.1 μM and 6.25 μM against E. coli and K. pneumoniae, respectively, supporting research in novel antibiotic development.
CAS Number
3040218-10-5
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
S (NC[C@H]1N[C@H] (CC1) C2=CC=C (C=C2) C=3C=CC=NC3) (=O) (=O) C=4C5=C (C=CC4) C=NC=C5
Molecular Formula
C25H24N4O2S
Molecular Weight
444.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 171662160
CAS Number3040218-10-5
PubChem CID171662160
IUPAC NameN-[[(2S,5R)-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
Molecular FormulaC25H24N4O2S
Molecular Weight444.6
XLogP3.3
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity703
SMILES
C1C[C@@H](N[C@@H]1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)C5=CN=CC=C5
InChI
InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1
InChIKey
WDMXDRLBFHUECN-LADGPHEKSA-N
Chemical Structure
2D Structure
2D structure of CID 171662160
CAS: 3040218-10-5
CID: 171662160
Formula: C25H24N4O2S
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass444.16199719
Monoisotopic Mass444.16199719
Topological Polar Surface Area92.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity703
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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