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KU-55933

KU-55933 structure

CAS No:
587871-26-9
Formula:
C21H17NO3S2
Chemical Name:
KU-55933
Synonyms:
2-MORPHOLIN-4-YL-6-THIANTHREN-1-YL-PYRAN-4-ONE;2-(4-Morpholinyl)-6-(1-thianthrenyl)-4H-pyran-4-one;KU-55933 (ATM Kinase Inhibitor);KU-55933, >99%;KV-55933;2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one;2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one KU-55933 (ATM Kinase Inhibitor);KU 55933, >=98%
Categories:
Biochemical Engineering > Inhibitors

Description

KU-55933 is a potent ATM inhibitor with an IC50 and Ki of 12.9 and 2.2 nM, respectively, and is highly selective for ATM as compared to DNA-PK, PI3K/PI4K, ATR and mTOR.

2-(4-morpholinyl)-6-(1-thianthrenyl)-4-pyranone is a thianthrene.

KU-55933 Basic Attributes

Molecular Weight：

395.49

Exact Mass：

395.064972

UNII：

O549494L5D

DSSTox ID：

DTXSID40207516

Characteristics

PSA：

89.4

XLogP3：

3.9

Density：

1.4±0.1 g/cm3

Boiling Point：

628°C at 760 mmHg

Flash Point：

333.6±31.5 °C

Refractive Index：

1.714

Storage Conditions：

Desiccate at -20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one

KU-55933 Use and Manufacturing

Methods of Manufacturing

Synthesis of 2-Thianthren-1-yl-6-morpholin-4-yl-pyran-4-thione (18) 2-Thianthren-1-yl-6-morpholin-4-yl-pyran-4-one (4)(140 mg, 0.354 mmol) was dissolved in toluene (5 ml). Lawesson's reagent (215 mg, 0.53 mmol) was added to the solution and the mixture was refluxed overnight under nitrogen with stirring. The toluene was evaporated off in vacuo and the residue was purified via column chromatography (silica, dichloromethane) to give the desired compound (18) as dark orange solid (27 mg, 18%).1H-NMR (300 MHz, DMSO-d6): deltaH=3.56 (4H, t, J 5 Hz); 3.73 (4H, t, J 5 Hz); 7.83 (1H, d, J 2 Hz); 7.76 (1H, d, J 2 Hz); 7.30-7.80 (7H, m). m/z (LC-MS, ESP):412 (M++1).

Uses

A potent and specific ATM kinase inhibitor with an IC50 and a Ki of 13 nM and 2.2 nM, respectively.

Computed Properties

Molecular Weight:395.5
XLogP3:3.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:395.06498575
Monoisotopic Mass:395.06498575
Topological Polar Surface Area:89.4
Heavy Atom Count:27
Complexity:643
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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KU-55933

CAS No.: 587871-26-9

Content: 99%

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