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Chemical structure of AEM1

GC42743

AEM1

Also known as N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

Cancer cell survival appears partly dependent on antioxidative enzymes, whose expression is regulated by the Keap1-Nrf2 pathway, to quench potentially toxic reactive oxygen species generated by their metastatic transformation

ChemicalCAS1030123-90-0MW379.4FormulaC20H14FN3O2S
CAS number
1030123-90-0
Molecular weight
379.4
Formula
C20H14FN3O2S
Solubility
DMF： 30 mg/mL,DMF：PBS (pH 7·2) (1：4)： 0·2 mg/mL,DMSO： 20 mg/mL,Ethanol： 0·25 mg/mL
InChIKey
QGYLTGSHWIGJJD-UHFFFAOYSA-N
Catalogue number
GC42743
Brand
GLPBIO
Computed properties PubChem CID 9196193 · XLogP 4.9 · TPSA 84.5 Ų · H-bond donors 1
XLogP
4.9
TPSA
84.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

SMILES C1OC2=C(O1)C=C(C=C2)CNC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 9196193), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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