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ARN-21934

CAT: 0013-GTR19170966-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170966-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARN-21934
CAS Number
2230854-93-8
Product Name Alternative
ARN21934, ARN-21934, ARN 21934, anticancer, DNA relaxation, Inhibitor, inhibit, topoisomerase IIα, Topo II, Topoisomerase
Field of Research
Molecular Biology
Purity
99.80% (May vary between batches)
Solubility
DMSO:40 mg/mL (110.97 mM)
Smiles
CN (C) c1ccc (Nc2nc (nc3CCC (N) Cc23) -c2ccncc2) cc1
Molecular Formula
C21H24N6
Molecular Weight
360.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N4-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)-5,6,7,8-tetrahydroquinazoline-4,6-diamine
CAS Number2230854-93-8
PubChem CID135150944
IUPAC Name4-N-[4-(dimethylamino)phenyl]-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazoline-4,6-diamine
Molecular FormulaC21H24N6
Molecular Weight360.5
XLogP2.6
Topological Polar Surface Area80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity458
SMILES
CN(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2CC(CC3)N)C4=CC=NC=C4
InChI
InChI=1S/C21H24N6/c1-27(2)17-6-4-16(5-7-17)24-21-18-13-15(22)3-8-19(18)25-20(26-21)14-9-11-23-12-10-14/h4-7,9-12,15H,3,8,13,22H2,1-2H3,(H,24,25,26)
InChIKey
CKXSRLUXTFDZCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N4-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)-5,6,7,8-tetrahydroquinazoline-4,6-diamine
CAS: 2230854-93-8
CID: 135150944
Formula: C21H24N6
MW: 360.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass360.20624479
Monoisotopic Mass360.20624479
Topological Polar Surface Area80 Ų
Heavy Atom Count27
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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