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Chemical structure of TG 100572 Hydrochloride

GC37772

TG 100572 Hydrochloride

Also known as 4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol;hydrochloride

TG 100572 Hydrochloride is a multi-targeted kinase inhibitor which inhibits receptor tyrosine kinases and Src kinases; has IC50s of 2, 7, 2, 16, 13, 5, 0·5, 6, 0·1, 0·4, 1, 0·2 nM for VEGFR1, VEGFR2, FGFR1, FGFR2, PDGFRβ, Fgr, Fyn, Hck, Lck, Lyn, Src, Yes, respectively

ChemicalCAS867331-64-4MW512.43FormulaC26H27Cl2N5O2
CAS number
867331-64-4
Molecular weight
512.43
Formula
C26H27Cl2N5O2
Solubility
DMSO： ≥ 44 mg/mL (85·87 mM)
InChIKey
NVINBIHNVAYEND-UHFFFAOYSA-N
Catalogue number
GC37772
Brand
GLPBIO
Computed properties PubChem CID 24823567 · TPSA 83.4 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
83.4 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35

SMILES CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)O)Cl.Cl

Computed descriptors from PubChem (CID 24823567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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