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Chemical structure of Exatecan Intermediate 6

GC74134

Exatecan Intermediate 6

Also known as N-(3-fluoro-4-methyl-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide

Exatecan Intermediate 6 is the intermediate of Exatecan And Exatecan (DX-8951) is a DNA topoisomerase I inhibitor with an IC50 value of 2·2 μM (0·975 μg/mL) that can be used in cancer research

ChemicalCAS143655-58-7MW235.25FormulaC13H14FNO2
CAS number
143655-58-7
Molecular weight
235.25
Formula
C13H14FNO2
Solubility
DMSO ： 25 mg/mL (106·27 mM; Need ultrasonic)
InChIKey
PSNRFAKPOCIEDV-UHFFFAOYSA-N
Catalogue number
GC74134
Brand
GLPBIO
Computed properties PubChem CID 22449535 · XLogP 2.2 · TPSA 46.2 Ų · H-bond donors 1
XLogP
2.2
TPSA
46.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

SMILES CC1=C(C=C(C2=C1CCCC2=O)NC(=O)C)F

Computed descriptors from PubChem (CID 22449535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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