Exatecan Intermediate 1 - ≥99% , CAS No.110351-94-5

CAS: 110351-94-5 Cat. No.: E646870 Peso molecular: 263.25 Número EC: 828-521-6

GRADE & PURITY ≥99%

Synonyms

1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione,4-ethyl-7,8-dihydro-4-hydroxy-,(4S)- | (4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | MFCD09833229 | DS-14808 | (4S)-4-ETHYL-4-HYDROXY-1H,3H,4H,6H,7H,8H,10H-PYRANO[3,4-F]INDOL

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Exatecan Intermediate 1 (compound 6) is an intermediate of Exatecan (HY-13631). Exatecan is a DNA topoisomerase I inhibitor with anticancer effects.

Specifications

Sinónimos

1H-Pyrano[3, 4-f]indolizine-3, 6, 10(4H)-trione, 4-ethyl-7, 8-dihydro-4-hydroxy-, (4S)- | (4S)-4-Ethyl-7, 8-dihydro-4-hydroxy-1H-pyrano[3, 4-f]indolizine-3, 6, 10(4H)-trione | MFCD09833229 | DS-14808 | (4S)-4-ETHYL-4-HYDROXY-1H, 3H, 4H, 6H, 7H, 8H, 10H-PYRANO[3, 4-F]INDOL

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
• IUPAC Name: (4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
• InChIKey: IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
• INCHI: 1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1
• Isómeros SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
• Peso molecular: 263.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Aryl alkyl ketones Pyridinones Tertiary alcohols Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Aryl ketone - Aryl alkyl ketone - Pyridinone - Pyridine - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO : 25 mg/mL (94.97 mM; Need ultrasonic)
• Sensibilidad: Moisture sensitive
• Peso molecular: 263.250 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 263.079 Da
• Monoisotopic Mass: 263.079 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 574.000
• 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