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Chemical structure of K-Ras-PDEδ-IN-1

GC62024

K-Ras-PDEδ-IN-1

Also known as N-[2-(4-fluorophenyl)ethyl]-4-[4-methyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]butanamide

K-Ras-PDEδ-IN-1 is a novel and potent competitive K-Ras-PDEδ inhibitor· K-Ras-PDEδ-IN-1 binds to the farnesyl binding pocket of PDEδ with a low nanomolar Kd of 8 nM

ChemicalCAS1841464-21-8MW447.5FormulaC25H26FN5O2
CAS number
1841464-21-8
Molecular weight
447.5
Formula
C25H26FN5O2
Solubility
DMSO ： 12·5 mg/mL (27·93 mM)
InChIKey
RRELLHHWESTKAK-UHFFFAOYSA-N
Catalogue number
GC62024
Brand
GLPBIO
Computed properties PubChem CID 118583099 · XLogP 3.5 · TPSA 79.6 Ų · H-bond donors 1
XLogP
3.5
TPSA
79.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33

SMILES CC1=CC=C(C=C1)N2C=C3C(=NN(C(=O)C3=N2)CCCC(=O)NCCC4=CC=C(C=C4)F)C

Computed descriptors from PubChem (CID 118583099), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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