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Chemical structure of ARN-21934

GC62425

ARN-21934

Also known as 4-N-[4-(dimethylamino)phenyl]-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazoline-4,6-diamine

ARN-21934 is a potent, highly selective, blood-brain barrier (BBB) penetrant inhibitor for human topoisomerase II α over β· ARN-21934 inhibits DNA relaxation with an IC50 of 2 μM as compared to the anticancer agent Etoposide (IC50=120 μM)· ARN-21934 exhibits a favorable in vivo pharmacokinetic profile and is a promising lead compound for anticancer research

ChemicalCAS2230854-93-8MW360.46FormulaC21H24N6
CAS number
2230854-93-8
Molecular weight
360.46
Formula
C21H24N6
Solubility
DMSO : 8·33 mg/mL (23·11 mM; ultrasonic and warming and heat to 80°C)
InChIKey
CKXSRLUXTFDZCF-UHFFFAOYSA-N
Catalogue number
GC62425
Brand
GLPBIO
Computed properties PubChem CID 135150944 · XLogP 2.6 · TPSA 80 Ų · H-bond donors 2
XLogP
2.6
TPSA
80 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES CN(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2CC(CC3)N)C4=CC=NC=C4

Computed descriptors from PubChem (CID 135150944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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