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Chemical structure of Lck inhibitor 2

GC36430

Lck inhibitor 2

Also known as 3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide

Lck inhibitor 2 is a bis-anilinopyrimidine inhibitor of tyrosine kinases including LCK, BTK, LYN, SYK, and TXK· The IC50 values are 13nM, 9nM, 3nM, 26nM and 2nM for Lck, Btk, Lyn, Btk and Txk respectively

ChemicalCAS944795-06-6MW335.36FormulaC18H17N5O2
CAS number
944795-06-6
Molecular weight
335.36
Formula
C18H17N5O2
Solubility
DMSO： 20 mg/mL (59·64 mM)
InChIKey
SFCBIFOAGRZJNX-UHFFFAOYSA-N
Catalogue number
GC36430
Brand
GLPBIO
Computed properties PubChem CID 25138012 · XLogP 2.8 · TPSA 113 Ų · H-bond donors 4
XLogP
2.8
TPSA
113 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES CC1=C(C=C(C=C1)O)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N

Computed descriptors from PubChem (CID 25138012), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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