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Chemical structure of Risvodetinib

GC73201

Risvodetinib

Also known as N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Risvodetinib (IkT-148009) is an oral, selective and brain-penetrant protein tyrosine kinase inhibitor, displaying target efficacy against c-Abl1, c-Abl2/Arg with IC50 values of 33 nM, 14 nM

ChemicalCAS2031185-00-7MW574.68FormulaC33H34N8O2
CAS number
2031185-00-7
Molecular weight
574.68
Formula
C33H34N8O2
Solubility
DMSO ： 100 mg/mL (174·01 mM; Need ultrasonic)
InChIKey
ADGOPPKEIZXKAZ-UHFFFAOYSA-N
Catalogue number
GC73201
Brand
GLPBIO
Computed properties PubChem CID 122650693 · XLogP 4 · TPSA 112 Ų · H-bond donors 2
XLogP
4
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
43

SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CC(=CN=C5)C6=C(C=NO6)C

Computed descriptors from PubChem (CID 122650693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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