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COMPOUND 401

COMPOUND 401 structure

COMPOUND 401 

structure
  • CAS No:

    168425-64-7

  • Formula:

    C16H15N3O2

  • Chemical Name:

    COMPOUND 401

  • 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

Description

Compound 401 is a synthetic inhibitor of DNA-PK (IC50 = 0.28 μM) that also targets mTOR but not PI3K in vitro.

COMPOUND 401 Basic Attributes

281.314

281.116425

DTXSID20434626

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

Drug Information

2-(morpholin-1-yl)pyrimido(2,1-a)isoquinolin-4-one

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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