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Chemical structure of Takeda103A

GC65463

Takeda103A

Also known as N-[(2,6-difluorophenyl)methyl]-3-[(4-propyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide

Takeda103A is a potent inhibitor of GRK2

ChemicalCAS865609-72-9MW463.48FormulaC24H23F2N7O
CAS number
865609-72-9
Molecular weight
463.48
Formula
C24H23F2N7O
Solubility
DMSO ： 125 mg/mL (269·70 mM; Need ultrasonic)
InChIKey
VWBSMGFTNCQOMB-UHFFFAOYSA-N
Catalogue number
GC65463
Brand
GLPBIO
Computed properties PubChem CID 11155477 · XLogP 2.7 · TPSA 97.6 Ų · H-bond donors 2
XLogP
2.7
TPSA
97.6 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

SMILES CCCN1C(=NN=C1C2=NC=NC=C2)CNC3=CC=CC(=C3)C(=O)NCC4=C(C=CC=C4F)F

Computed descriptors from PubChem (CID 11155477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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