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Chemical structure of MK-2894 sodium salt

GC36623

MK-2894 sodium salt

Also known as sodium 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoate

MK-2894 sodium salt is a potent, selective, orally active and high affinity (Ki=0·56 nM) full antagonist against E prostanoid receptor 4 (EP4 receptor) (IC50=2·5 nM)

ChemicalCAS1006036-88-9MW495.49FormulaC25H21F3NNaO3S
CAS number
1006036-88-9
Molecular weight
495.49
Formula
C25H21F3NNaO3S
Solubility
Soluble in DMSO
InChIKey
RQRUUNKVGDVBFV-UHFFFAOYSA-M
Catalogue number
GC36623
Brand
GLPBIO
Computed properties PubChem CID 24953972 · TPSA 97.5 Ų · H-bond donors 1 · H-bond acceptors 7
TPSA
97.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

SMILES CC1=C(C(=C(S1)C)C(=O)NC2(CC2)C3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)C(F)(F)F.[Na+]

Computed descriptors from PubChem (CID 24953972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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