COMPOUND 401
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COMPOUND 401
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CAS No:
168425-64-7
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Formula:
C16H15N3O2
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Chemical Name:
COMPOUND 401
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Synonyms:
2-(4-Morpholinyl)-4H-pyrimido[2,1-a]isoquinolin-4-one;4H-PyriMido[2,1-a]isoquinolin-4-one, 2-(4-Morpholinyl)-;2-(Morpholin-4-yl)pyrimido[2,1-a]isoquinolin-4-one;2-Morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one;Compound 401, >=98%;2-Morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one
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CAS No:
Description
Compound 401 is a synthetic inhibitor of DNA-PK (IC50 = 0.28 μM) that also targets mTOR but not PI3K in vitro.
Characteristics
45.1
1.2
1.36±0.1 g/cm3 (20 ºC 760 Torr)
184-186℃ (ethanol )
456.9±55.0 °C(Predicted)
230.1±31.5 °C
1.695
Store at RT
COMPOUND 401 Use and Manufacturing
Reversible and selective inhibitor of DNA-dependent protein kinase (DNA-PK) and mammalian target of rapamycin (mTOR) (IC 50 values are 0.28 and 5.3 μ M respectively). Displays little affinity for other commonly studied kinases including PI 3-K, ATM and ATR (IC 50 values are all > 100 μ M). Induces apoptosis in vitro .
Computed Properties
Molecular Weight:281.31
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:281.116426730
Monoisotopic Mass:281.116426730
Topological Polar Surface Area:45.1
Heavy Atom Count:21
Complexity:532
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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