Sulopenem etzadroxil - ≥99% , CAS No.1000296-70-7

CAS: 1000296-70-7 Cat. No.: S651341 Peso molecular: 477.62

GRADE & PURITY ≥99%

Synonyms

PF 03709270 (ulopenem etzadroxil) | 1000296-70-7 | PF-03709270 | sulopenem-etzadroxil | AC-33246 | NBPVNGWRLGHULH-CSOWVJSESA-N | 492M3I304T | SCHEMBL3412832 | AKOS040742411 | D09672 | SULOPENEM ETZADROXIL | PF 03709270 | Sulopenem etzadroxil [USAN] | DTXS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Sulopenem etzadroxil (PF-03709270) is an orally available ester proagent form of sulopenem, with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria.

Form:Solid

Specifications

Sinónimos

PF 03709270 (ulopenem etzadroxil) | 1000296-70-7 | PF-03709270 | sulopenem-etzadroxil | AC-33246 | NBPVNGWRLGHULH-CSOWVJSESA-N | 492M3I304T | SCHEMBL3412832 | AKOS040742411 | D09672 | SULOPENEM ETZADROXIL | PF 03709270 | Sulopenem etzadroxil [USAN] | DTXS

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Sulopenem etzadroxil (PF-03709270) is an orally available ester proagent form of sulopenem, with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCC(CC)C(=O)OCOC(=O)C1=C(SC2N1C(=O)C2C(C)O)SC3CCS(=O)C3
• IUPAC Name: 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• InChIKey: NBPVNGWRLGHULH-CSOWVJSESA-N
• INCHI: 1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1
• Isómeros SMILES: CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@@H](C)O)S[C@H]3CC[S@@](=O)C3
• CAS alternativo: 1000296-70-7
• Peso molecular: 477.62
• Reaxy-Rn: 29790015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790015&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiazolecarboxylic acids and derivatives Penems Acylals Fatty acid esters Vinylogous thioesters Dicarboxylic acids and derivatives Thiolanes Thiazolines Tertiary carboxylic acid amides Enoate esters Azetidines Sulfoxides Secondary alcohols Sulfenyl compounds Sulfinyl compounds Thiohemiaminal derivatives Acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Fatty acid ester - Acylal - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous thioester - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiolane - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Acetal - Hemithioaminal - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (209.37 mM; Need ultrasonic)
• Peso molecular: 477.600 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 477.095 Da
• Monoisotopic Mass: 477.095 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 767.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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