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Chemical structure of JCN037

GC39750

JCN037

Also known as N-(3-bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

JCN037 (JGK037) is non-covalent and BBB-penetrant EGFR tyrosine kinase inhibitor, with IC50 values of 2·49 nM, 3·95 nM, 4·48 nM for EGFR, p-wtEGFR and pEGFRvⅢ, respectively

ChemicalCAS2305154-31-6MW376.18FormulaC16H11BrFN3O2
CAS number
2305154-31-6
Molecular weight
376.18
Formula
C16H11BrFN3O2
Solubility
DMSO： 250 mg/mL (664·58 mM)
InChIKey
MTLUFWWVOINWEL-UHFFFAOYSA-N
Catalogue number
GC39750
Brand
GLPBIO
Computed properties PubChem CID 138513760 · XLogP 3.9 · TPSA 56.3 Ų · H-bond donors 1
XLogP
3.9
TPSA
56.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23

SMILES C1COC2=C(O1)C=C3C(=C2)N=CN=C3NC4=C(C(=CC=C4)Br)F

Computed descriptors from PubChem (CID 138513760), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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