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Chemical structure of FGFR-IN-1

GC63395

FGFR-IN-1

Also known as 5-(benzenesulfonyl)-11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(hydroxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

FGFR-IN-1 is a potent FGFR inhibitor with an IC50 of ＜100 nM for FGFR1, FGFR2, and FGFR3, respectively (patent US20130338134A1, example 219)

ChemicalCAS1513860-41-7MW558.55FormulaC26H24F2N4O6S
CAS number
1513860-41-7
Molecular weight
558.55
Formula
C26H24F2N4O6S
InChIKey
XQTMSAUAYGJJKA-UHFFFAOYSA-N
Catalogue number
GC63395
Brand
GLPBIO
Computed properties PubChem CID 86705736 · XLogP 2.7 · TPSA 123 Ų · H-bond donors 1
XLogP
2.7
TPSA
123 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
39

SMILES CCN1C2=C3C=C(N(C3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)S(=O)(=O)C5=CC=CC=C5)CO

Computed descriptors from PubChem (CID 86705736), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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