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Chemical structure of Ko 143

GC12711

Ko 143

Also known as tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate

Ko 143 is a potent and selective inhibitor of breast cancer resistance protein (BCRP; ABCG2) with an IC50 value of 23nM

ChemicalCAS461054-93-3MW469.59FormulaC26H35N3O5
CAS number
461054-93-3
Molecular weight
469.59
Formula
C26H35N3O5
Solubility
30mg/mL in ethanol; 20mg/mL in DMSO; 25mg/mL in DMF
InChIKey
NXNRAECHCJZNRF-JBACZVJFSA-N
Catalogue number
GC12711
Brand
GLPBIO
Computed properties PubChem CID 10322450 · XLogP 3.5 · TPSA 101 Ų · H-bond donors 2
XLogP
3.5
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34

SMILES CC(C)C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H](NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC

Computed descriptors from PubChem (CID 10322450), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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