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Chemical structure of XMD 8-92 trifluoroacetate

GB40420

XMD 8-92 trifluoroacetate

Also known as 2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2,2,2-trifluoroacetic acid

Potent and selective inhibitor of big MAP kinase 1 (BMK1/ERK5)· Note: Free base form of XMD8-92 is also available·Keywords: XMD 8-92 trifluoroacetate | supplier | BMK1/Erk5 inhibitor | XMD8-92 | XMD892 | CAS [2108526-77-6] | [1234480-50-2] | MAPK | ERK | Inhibitor | Enzymes

ChemicalCAS2108526-77-6MW588.58FormulaC26H30N6O3·C2HF3O2
CAS number
2108526-77-6
Molecular weight
588.58
Formula
C26H30N6O3·C2HF3O2
InChIKey
VIENPZHHICPRRZ-UHFFFAOYSA-N
Catalogue number
GB40420
Brand
GLPBIO
Computed properties PubChem CID 57347768 · TPSA 131 Ų · H-bond donors 3 · H-bond acceptors 13
TPSA
131 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
5
Heavy atoms
42

SMILES CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 57347768), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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