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Chemical structure of Exatecan Intermediate 5

GC74132

Exatecan Intermediate 5

Also known as N-(8-acetamido-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

Exatecan Intermediate 5 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

ChemicalCAS143655-70-3MW292.31FormulaC15H17FN2O3
CAS number
143655-70-3
Molecular weight
292.31
Formula
C15H17FN2O3
Solubility
DMSO ： 25 mg/mL (85·53 mM; Need ultrasonic)
InChIKey
UNQLSBJKEGXCGH-UHFFFAOYSA-N
Catalogue number
GC74132
Brand
GLPBIO
Computed properties PubChem CID 22080992 · XLogP 1.7 · TPSA 75.3 Ų · H-bond donors 2
XLogP
1.7
TPSA
75.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

SMILES CC1=C(C=C(C2=C1CCC(C2=O)NC(=O)C)NC(=O)C)F

Computed descriptors from PubChem (CID 22080992), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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