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Chemical structure of Feniralstat

GC69102

Feniralstat

Also known as N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide

Feniralstat is a derivative of pyrazole and an effective inhibitor of kallikrein, with an IC50 value of 6·7 nM for human plasma kallikrein (pKal)· Feniralstat does not inhibit human KLK1, human FXIa, or human factor Xlla (IC50 values all >40 μM)

ChemicalCAS2166320-76-7MW509.5FormulaC26H25F2N5O4
CAS number
2166320-76-7
Molecular weight
509.5
Formula
C26H25F2N5O4
Solubility
DMSO ： 100 mg/mL (196·27 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZRUFVDPYHLTYPD-UHFFFAOYSA-N
Catalogue number
GC69102
Brand
GLPBIO
Computed properties PubChem CID 139301832 · XLogP 1.1 · TPSA 98.6 Ų · H-bond donors 1
XLogP
1.1
TPSA
98.6 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
37

SMILES COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=C(C=CC4=O)F

Computed descriptors from PubChem (CID 139301832), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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