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Chemical structure of Exatecan Intermediate 7

GC74135

Exatecan Intermediate 7

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

Exatecan Intermediate 7 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

ChemicalCAS182182-32-7MW264.25FormulaC13H13FN2O3
CAS number
182182-32-7
Molecular weight
264.25
Formula
C13H13FN2O3
Solubility
DMSO : 100 mg/mL (378·43 mM; Need ultrasonic)
InChIKey
TUUIIOPQMWHACM-UHFFFAOYSA-N
Catalogue number
GC74135
Brand
GLPBIO
Computed properties PubChem CID 162678865 · XLogP 1.7 · TPSA 78.8 Ų · H-bond donors 2
XLogP
1.7
TPSA
78.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19

SMILES CC1=C(C=C(C2=C1CCC(=NO)C2=O)NC(=O)C)F

Computed descriptors from PubChem (CID 162678865), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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