Exatecan (mesylate) , CAS No.169869-90-3

CAS: 169869-90-3 Cat. No.: E1372336-GMP Peso molecular: 531.55 Número EC: 881-303-2 PubChem CID: 6918249

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Exatecan mesylate (DX8951f ) GMP is a GMP-class Exatecan. Exatecan is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 μM (0.975 μg/mL), and can be used in cancer research.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Nombres e identificadores

• Sonrisas canónicas: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• IUPAC Name: (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid
• InChIKey: BICYDYDJHSBMFS-GRGFAMGGSA-N
• INCHI: 1S/C24H22FN3O4.CH4O3S/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4)/t16-,24-;/m0./s1
• Isómeros SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• CAS alternativo: 171335-80-1
• PubChem CID: 6918249
• Peso molecular: 531.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Camptothecins

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Camptothecins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Camptothecins
• Alternative Parents: Haloquinolines Pyranopyridines Pyridinones Aralkylamines Aryl fluorides Benzenoids Tertiary alcohols Sulfonyls Alkanesulfonic acids Organosulfonic acids Methanesulfonates Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Monoalkylamines Organofluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Camptothecin - Haloquinoline - Pyranopyridine - Quinoline - Pyridinone - Aralkylamine - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Methanesulfonate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - Alkanesulfonic acid - Lactone - Lactam - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-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

• Sensibilidad: Sensitive to humidity and light