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LTURM34

CAT: 0013-GTR19157781-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157781-04Size:5 mg
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Description
LTURM34 is an inhibitor of DNA-PK with IC50 of 34 nM. LTURM34 displays effective antiproliferative activity in a wide range of tumor cell lines. LTURM34 shows 170-fold selectivity for DNA-PK over PI3K .LTURM34 is more consistently active against the selected cell lines (11 of 16), but at best shows 54% inhibition against the HOP-92 non-small cell lung cancer line. LTURM34 displays effective inhibition of DNA-PK with excellent selectivity over the Class I PI3K isoforms (IC50s: 5.8 and 8.5 μM for PI3K β and δ, respectively) .
CAS Number
1879887-96-3
Purity
>98% (HPLC)
Solubility
DMSO:60 mg/mL (144.76 mM)
Smiles
O=c1nc (oc2c (cccc12) -c1cccc2c3ccccc3sc12) N1CCOCC1
Molecular Formula
C24H18N2O3S
Molecular Weight
414.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Lturm34
CAS Number1879887-96-3
PubChem CID122705987
IUPAC Name8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one
Molecular FormulaC24H18N2O3S
Molecular Weight414.5
XLogP4.9
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity694
SMILES
C1COCCN1C2=NC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56
InChI
InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
InChIKey
SMMSWOMXOZLOPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lturm34
CAS: 1879887-96-3
CID: 122705987
Formula: C24H18N2O3S
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass414.10381361
Monoisotopic Mass414.10381361
Topological Polar Surface Area79.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity694
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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