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Compound 401

CAT: 0013-GTR19172109-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172109-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Compound 401 (2-morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one) is a potent and selective small molecule inhibitor of DNA-PK with an IC50 of 0.28 μM, which additionally inhibits mTOR while sparing PI3K. It is a valuable chemical probe for studying DNA damage response and repair pathways in both cellular and animal models of cancer research.
CAS Number
168425-64-7
Product Name Alternative
Inhibitor, inhibit, 2-morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one, DNA-dependent protein kinase, DNA-PK, DNAPK, Compound401, Compound-401, Compound 401
Field of Research
Molecular Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.19% (May vary between batches)
Solubility
DMSO:5.45 mg/mL (19.37 mM)
Smiles
O=c1cc (nc2c3ccccc3ccn12) N1CCOCC1
Molecular Formula
C16H15N3O2
Molecular Weight
281.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Morpholin-4-ylpyrimido(2,1-A)isoquinolin-4-one
CAS Number168425-64-7
PubChem CID10039361
IUPAC Name2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-one
Molecular FormulaC16H15N3O2
Molecular Weight281.31
XLogP1.2
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity532
SMILES
C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2
InChI
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
InChIKey
BVRDQVRQVGRNHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Morpholin-4-ylpyrimido(2,1-A)isoquinolin-4-one
CAS: 168425-64-7
CID: 10039361
Formula: C16H15N3O2
MW: 281.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.31
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass281.116426730
Monoisotopic Mass281.116426730
Topological Polar Surface Area45.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity532
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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CatalogName
ALX-550-516-M025Compound A
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A8197-5.1Compound 56
B7337-5Compound 401
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PDK0296-01Compound PDK0296
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