Cadazolid - Moligand™, ≥98% , Bacterial 70S ribosome inhibitor, CAS No.1025097-10-2, Bacterial 70S ribosome inhibitor

CAS: 1025097-10-2 Cat. No.: C608296 Formule: C₂₉H₂₉F₂N₃O₈ Poids moléculaire: 585.55 PubChem CID: 44242317

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS040757860 | 1025097-10-2 | DB11847 | UNII-2OEA2UN10Y | WLN: L6VTJ | AC-35473 | EPA Pesticide Chemical Code 056504 | Cadazolid [INN] | NCGC00258951-01 | Cadazolid (USAN/INN) | SCHEMBL541618 | D11207 | Methylcyclohexane 1000 microg/mL in Methanol | 1-Cy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AKOS040757860 | 1025097-10-2 | DB11847 | UNII-2OEA2UN10Y | WLN: L6VTJ | AC-35473 | EPA Pesticide Chemical Code 056504 | Cadazolid [INN] | NCGC00258951-01 | Cadazolid (USAN/INN) | SCHEMBL541618 | D11207 | Methylcyclohexane 1000 microg/mL in Methanol | 1-Cy

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Bacterial 70S ribosome inhibitor

Pureté

≥98%

Propriétés du produit

• ALogP: 3.1

Noms et identifiants

• Pubchem Sid: 528770343
• Sourires canoniques: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)(COC5=C(C=C(C=C5)N6CC(OC6=O)CO)F)O)F)C(=O)O
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• InChIKey: XWFCFMXQTBGXQW-GOSISDBHSA-N
• INCHI: 1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1
• Isomères SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)(COC5=C(C=C(C=C5)N6C[C@@H](OC6=O)CO)F)O)F)C(=O)O
• CAS alternatif: 1025097-10-2
• PubChem CID: 44242317
• Termes d'entrée MeSH: cadazolid
• Poids moléculaire: 585.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Piperidines Oxazolidinones Heteroaromatic compounds Carbamate esters Vinylogous amides Tertiary alcohols Amino acids Azacyclic compounds Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Aryl halide - Oxazolidinone - Piperidine - Aryl fluoride - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Oxazolidine - Tertiary alcohol - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Alcohol - Organofluoride - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 585.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 585.192 Da
• Monoisotopic Mass: 585.192 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1100.000
• 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