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LMP744

CAT: 0931-T11872-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11872-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
308246-52-8
Target
Topoisomerase, Others
Related Pathways
DNA Damage/DNA Repair, Others
Bioactivity
LMP744 is a DNA intercalator and Topoisomerase I (Top1) inhibitor with antitumor activity.
Smiles
COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC
Molecular Formula
C24H24N2O7
Molecular Weight
452.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5H-(1,3)Dioxolo(5,6)indeno(1,2-C)isoquinoline-5,12(6H)-dione, 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-

Topoisomerase-1 Inhibitor LMP744 is an indenoisoquinoline derivative and topoisomerase 1 (Top1) inhibitor, with potential antineoplastic activity. Upon administration, LMP744 binds to and stabilizes cleaved DNA-Top1 complexes, which prevents DNA re-ligation, induces stable, irreversible DNA strand breaks, prevents DNA repair, and leads to cell cycle arrest and apoptosis. As tumor cells proliferate at a much higher rate than normal cells, LMP744 specifically targets cancer cells. Top1, a DNA modifying enzyme essential for transcription, replication, and repair of double-strand DNA breaks, is overexpressed in tumor cells.

CAS Number308246-52-8
PubChem CID397888
IUPAC Name20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
Molecular FormulaC24H24N2O7
Molecular Weight452.5
XLogP1.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity802
SMILES
COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC
InChI
InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3
InChIKey
QCSDJDQOJBQTDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5H-(1,3)Dioxolo(5,6)indeno(1,2-C)isoquinoline-5,12(6H)-dione, 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-
CAS: 308246-52-8
CID: 397888
Formula: C24H24N2O7
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass452.15835111
Monoisotopic Mass452.15835111
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity802
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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