Exatecan Mesylate - ≥99% , CAS No.169869-90-3

CAS: 169869-90-3 Cat. No.: E305074 Peso molecular: 531.55 Número EC: 881-303-2 PubChem CID: 6918249

GRADE & PURITY ≥99%

Synonyms

DTXSID10168766 | (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 | Q27294336 | A905704 | WS-01934 | EXATECAN

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID10168766 | (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 | Q27294336 | A905704 | WS-01934 | EXATECAN

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Exatecan mesylate is a water soluble camptothecin (CPT) analog that exhibits a stronger topoisomerase-I inhibitory and antitumor activities and is highly effective against P-glycoprotein (P-gp) mediated multi-drug resistant cells. Several of the exatecan

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.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504764357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764357
• 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: Light sensitive；Moisture sensitive
• Peso molecular: 531.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 531.148 Da
• Monoisotopic Mass: 531.148 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3