Products for Research Use Only
RegisterLogin

Topovale

CAT: 0931-T9088-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T9088-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
500214-53-9
Target
Topoisomerase
Related Pathways
DNA Damage/DNA Repair
Purity
0.9994
Bioactivity
Topovale (ARC111) is a potent inhibitor of topoisomerase I. Topovale inhibits hypoxia-mediated accumulation of hypoxia-inducible factor-1alpha. Topovale exhibited low nM cytotoxicity against a panel of cancer cells. Topovale cytotoxicity as well as Topovale-induced apoptosis was reduced > 100-fold in CPT-resistant topoisomerase I (TOP1) -deficient P388/CPT45 cells as compared with P388 cells.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
BUP03834-01Topovale
A22471-50Topovale 50mg
A22471-25Topovale 25mg
A22471-5Topovale 5mg
A22471-100Topovale 100mg
A22471-10Topovale 10mg
A22471-1Topovale 1mg

Popular Products