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Chemical structure of T025

GC65395

T025

Also known as 2-N-methyl-4-N-(pyrimidin-2-ylmethyl)-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

T025 is an orally active and highly potent inhibitor of Cdc2-like kinase (CLKs), with Kd values of 4·8, 0·096, 6·5, 0·61, 0·074, 1·5 and 32 nM for CLK1, CLK2, CLK3, CLK4, DYRK1A, DYRK1B and DYRK2, respectively

ChemicalCAS2407433-00-3MW382.42FormulaC21H18N8
CAS number
2407433-00-3
Molecular weight
382.42
Formula
C21H18N8
Solubility
DMSO ： 8·25 mg/mL (21·57 mM; Need ultrasonic)
InChIKey
PMWVYONICYRLNY-UHFFFAOYSA-N
Catalogue number
GC65395
Brand
GLPBIO
Computed properties PubChem CID 133082038 · XLogP 3 · TPSA 104 Ų · H-bond donors 3
XLogP
3
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29

SMILES CNC1=NC2=C(C(=CN2)C3=CC4=C(C=C3)N=CC=C4)C(=N1)NCC5=NC=CC=N5

Computed descriptors from PubChem (CID 133082038), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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