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Chemical structure of Exatecan-amide-cyclopropanol

GC66434

Exatecan-amide-cyclopropanol

Also known as N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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)-heptaen-23-yl]-1-hydroxycyclopropane-1-carboxamide

Exatecan-amide-cyclopropanol (compound 1) is a anticancer agent· Exatecan-amide-cyclopropanol shows anti-proliferation activity against SK-BR-3 and U87 cells, with IC50 values of 0·12 and 0·23 nM, respectively

ChemicalCAS2414254-34-3MW519.52FormulaC28H26FN3O6
CAS number
2414254-34-3
Molecular weight
519.52
Formula
C28H26FN3O6
Solubility
DMSO ： 2·73 mg/mL (5·25 mM; ultrasonic and warming and heat to 80°C)
InChIKey
YBPWXIPEPLZSMS-JMQGSBJISA-N
Catalogue number
GC66434
Brand
GLPBIO
Computed properties PubChem CID 146505730 · XLogP 0.4 · TPSA 129 Ų · H-bond donors 3
XLogP
0.4
TPSA
129 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
38

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)C7(CC7)O)O

Computed descriptors from PubChem (CID 146505730), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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