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Topovale

CAT: 0013-GTR19166861-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166861-02Size:5 mg
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Description
Topovale (ARC111) is a potent topoisomerase I inhibitor that suppresses hypoxia-induced HIF-1α accumulation. It demonstrates low nanomolar cytotoxicity against various cancer cell lines, with activity shown to be dependent on functional topoisomerase I in comparative in vitro studies using sensitive and resistant cell models.
CAS Number
500214-53-9
Product Name Alternative
ARC111, ARC-111, ARC 111, topoisomerase I, Topoval, Topovale
Field of Research
Molecular Biology
Purity
99.94% (May vary between batches)
Solubility
DMSO:Insoluble
Smiles
C (CN (C) C) N1C2=C (C=3C (C1=O) =CC (OC) =C (OC) C3) C=NC=4C2=CC5=C (C4) OCO5
Molecular Formula
C23H23N3O5
Molecular Weight
421.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Arc-111
CAS Number500214-53-9
PubChem CID9888428
IUPAC Name21-[2-(dimethylamino)ethyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
Molecular FormulaC23H23N3O5
Molecular Weight421.4
XLogP2.7
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity663
SMILES
CN(C)CCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
InChI
InChI=1S/C23H23N3O5/c1-25(2)5-6-26-22-15-9-20-21(31-12-30-20)10-17(15)24-11-16(22)13-7-18(28-3)19(29-4)8-14(13)23(26)27/h7-11H,5-6,12H2,1-4H3
InChIKey
UVXCXZBZPFCAAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arc-111
CAS: 500214-53-9
CID: 9888428
Formula: C23H23N3O5
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass421.16377084
Monoisotopic Mass421.16377084
Topological Polar Surface Area73.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A22471-10Topovale 10mg
A22471-1Topovale 1mg

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