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Lolamicin

CAT: 0931-T88322-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88322-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2930690-12-1
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9981
Bioactivity
Lolamicin is a Gram-negative selective antibiotic targeting the lipoprotein transport system LolCDE complex. It exhibits activity against over 130 multidrug-resistant clinical isolates, improves survival rates in mouse models of septicemia and pneumonia, and protects the gut microbiota.
Smiles
N#CC1=CC=CC(=C1)COC2=CC=CC(=C2)C3=NNC=C3C4=CC(=NC(=C4)C)C
Molecular Formula
C24H20N4O
Molecular Weight
380.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lolamicin
CAS Number2930690-12-1
PubChem CID168894634
IUPAC Name3-[[3-[4-(2,6-dimethyl-4-pyridinyl)-1H-pyrazol-5-yl]phenoxy]methyl]benzonitrile
Molecular FormulaC24H20N4O
Molecular Weight380.4
XLogP4.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity564
SMILES
CC1=CC(=CC(=N1)C)C2=C(NN=C2)C3=CC(=CC=C3)OCC4=CC(=CC=C4)C#N
InChI
InChI=1S/C24H20N4O/c1-16-9-21(10-17(2)27-16)23-14-26-28-24(23)20-7-4-8-22(12-20)29-15-19-6-3-5-18(11-19)13-25/h3-12,14H,15H2,1-2H3,(H,26,28)
InChIKey
CIXIQLLJOWEAKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lolamicin
CAS: 2930690-12-1
CID: 168894634
Formula: C24H20N4O
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass380.16371127
Monoisotopic Mass380.16371127
Topological Polar Surface Area74.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity564
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