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

CAS: 1025097-10-2 Cat. No.: C608296 Formula: C₂₉H₂₉F₂N₃O₈ Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Bacterial 70S ribosome inhibitor

Purezza

≥98%

Proprietà del prodotto

• ALogP: 3.1

Nomi e identificatori

• Pubchem Sid: 528770343
• Sorrisi canonici: 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
• Isomeri 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 alternativo: 1025097-10-2
• PubChem CID: 44242317
• Termini MeSH: cadazolid
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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