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NU5455

CAT: 0804-HY-145427-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145427-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NU5455 is a potent, selective, and orally active inhibitor of DNA-PKcs. NU5455 administration increases both the efficacy and the toxicity of a parenterally administered topoisomerase inhibitor. NU5455 enhances the activity of Doxorubicin released locally in liver tumor xenografts without inducing any adverse effect[1].
CAS Number
1257235-99-6
UNSPSC
12352005
Target
DNA-PK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nu5455.html
Solubility
10 mM in DMSO
Smiles
CN(C1=CC=C2SC3=C(C4=C(OC(N5CC(CC6)OC6C5)=CC7=O)C7=CC=C4)C=CC=C3C2=C1)C(CN8CCOCC8)=O
Molecular Formula
C34H33N3O5S
Molecular Weight
595.71
References & Citations
[1]Willoughby CE, et al. Selective DNA-PKcs inhibition extends the therapeutic index of localized radiotherapy and chemotherapy. J Clin Invest. 2020;130 (1) :258-271.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-methyl-2-morpholin-4-yl-N-[6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxochromen-8-yl]dibenzothiophen-2-yl]acetamide
CAS Number1257235-99-6
PubChem CID68758901
IUPAC NameN-methyl-2-morpholin-4-yl-N-[6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxochromen-8-yl]dibenzothiophen-2-yl]acetamide
Molecular FormulaC34H33N3O5S
Molecular Weight595.7
XLogP5.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CN(C1=CC2=C(C=C1)SC3=C2C=CC=C3C4=CC=CC5=C4OC(=CC5=O)N6CC7CCC(C6)O7)C(=O)CN8CCOCC8
InChI
InChI=1S/C34H33N3O5S/c1-35(31(39)20-36-12-14-40-15-13-36)21-8-11-30-28(16-21)26-6-3-5-25(34(26)43-30)24-4-2-7-27-29(38)17-32(42-33(24)27)37-18-22-9-10-23(19-37)41-22/h2-8,11,16-17,22-23H,9-10,12-15,18-20H2,1H3
InChIKey
NYHCXQIUWIEKQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-morpholin-4-yl-N-[6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxochromen-8-yl]dibenzothiophen-2-yl]acetamide
CAS: 1257235-99-6
CID: 68758901
Formula: C34H33N3O5S
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass595.21409234
Monoisotopic Mass595.21409234
Topological Polar Surface Area99.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19184502-01NU5455

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