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Chemical structure of BAY 707

GC50656

BAY 707

Also known as N-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

BAY 707 is a substrate-competitive, highly potent and selective inhibitor of MTH1(NUDT1) with an IC50 of 2·3 nM· BAY 707 has a good pharmacokinetic (PK) profile to other MTH1 compounds and is well-tolerated in mice, but shows a clear lack of in vitro or in vivo anticancer efficacy

ChemicalCAS2109805-96-9MW288.34FormulaC15H20N4O2
CAS number
2109805-96-9
Molecular weight
288.34
Formula
C15H20N4O2
Solubility
DMSO|28·83|100|ethanol|2·88|10|
InChIKey
RPMGXDCRCWWCRY-JTQLQIEISA-N
Catalogue number
GC50656
Brand
GLPBIO
Computed properties PubChem CID 129012086 · XLogP 1.5 · TPSA 70.3 Ų · H-bond donors 2
XLogP
1.5
TPSA
70.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

SMILES CCNC(=O)C1=CC2=C(C=CN=C2N1)N3CCOC[C@@H]3C

Computed descriptors from PubChem (CID 129012086), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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