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Chemical structure of HG6-64-1

GC36223

HG6-64-1

Also known as N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide

HG6-64-1 is a potent and selective B-Raf inhibitor extracted from patent WO 2011090738 A2, example 9 (XI-1); has a IC50 of 0·09 μM on B-raf V600E transformed Ba/F3 cells

ChemicalCAS1315329-43-1MW577.64FormulaC32H34F3N5O2
CAS number
1315329-43-1
Molecular weight
577.64
Formula
C32H34F3N5O2
Solubility
DMSO： ≥ 100 mg/mL (173·12 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
UMBFDGUGXMOMHX-UHFFFAOYSA-N
Catalogue number
GC36223
Brand
GLPBIO
Computed properties PubChem CID 67348071 · XLogP 5.7 · TPSA 73.5 Ų · H-bond donors 2
XLogP
5.7
TPSA
73.5 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
42

SMILES CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)C=CC4=CN=C5C(=C4OC)C=CN5)C(F)(F)F

Computed descriptors from PubChem (CID 67348071), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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