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Chemical structure of RET-IN-21

GC73196

RET-IN-21

Also known as 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

RET-IN-21 is an inhibitor of receptor tyrosine kinase (RET), with the IC50 of 4·4 μM, that has antitumor activity

ChemicalCAS2414373-42-3MW344.37FormulaC19H16N6O
CAS number
2414373-42-3
Molecular weight
344.37
Formula
C19H16N6O
Solubility
DMSO ： 125 mg/mL (362·98 mM; Need ultrasonic)
InChIKey
DICBAYNNPUCOOQ-UHFFFAOYSA-N
Catalogue number
GC73196
Brand
GLPBIO
Computed properties PubChem CID 154729143 · XLogP 1.6 · TPSA 98.2 Ų · H-bond donors 2
XLogP
1.6
TPSA
98.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

SMILES C1=CC(=CC=C1C2=C3N=C(C=CN3N=C2)NCC4=CC=NC=C4)C(=O)N

Computed descriptors from PubChem (CID 154729143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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