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Gepotidacin - 98%, high purity , Bacterial DNA gyrase inhibitor, CAS No.1075236-89-3, Bacterial DNA gyrase inhibitor
Basic Description
Synonyms
GSK 2140944 | GSK2140944 | GSK-2140944
Specifications & Purity
Moligand™, ≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Bacterial DNA gyrase inhibitor
Product Description
Gepotidacin is a novel triazaacenaphthylene bacterial type II topoisomerase inhibitor.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyranopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyranopyridines
Alternative Parents
Pyridopyrazines Imidazopyridines Imidazopyrazines 2-pyridylmethylamines Pyridinones Alkyl aryl ethers Aminopiperidines Aralkylamines Pyrazines Heteroaromatic compounds Azoles Trialkylamines Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyridine - Pyridopyrazine - Imidazopyridine - Imidazopyrazine - 2-pyridylmethylamine - Alkyl aryl ether - 4-aminopiperidine - Pyridinone - Aralkylamine - Pyridine - Pyrazine - Piperidine - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Oxacycle - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
INCHI
InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
InChIKey
PZFAZQUREQIODZ-LJQANCHMSA-N
Smiles
O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2
Isomeric SMILES
C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6
PubChem CID
25101874
Molecular Weight
448.52
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
448.500 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
448.222 Da
Monoisotopic Mass
448.222 Da
Topological Polar Surface Area
90.400 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
893.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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