3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]- Struktur

3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-

Bezeichnung:3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-

CAS-Nr1979939-16-6

Englisch Name:3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-

CBNumberCB68596697

SummenformelC25H22ClF3N4O2

Molgewicht502.92

MOL-Datei1979939-16-6.mol

3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]- physikalisch-chemischer Eigenschaften

Siedepunkt	680.4±55.0 °C(Predicted)
Dichte	1.35±0.1 g/cm3(Predicted)
Löslichkeit	DMSO: Soluble
Aggregatzustand	A solid
pka	14.92±0.46(Predicted)

3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]- Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
CRT0273750 is an autotaxin inhibitor. CRT0273750 modulates LPA levels in plasma and is suitable for in vivo studies. CRT0273750 has an unexpected binding mode in that they do not interact with the active site zinc ions but instead occupy the hydrophobic LPC pocket extending from the active site of ATX together with occupying the LPA 'exit' channel.
in vivo
The autotaxin-lysophosphatidic acid (ATX-LPA) axis has been implicated in several disease conditions including inflammation, fibrosis and cancer. This makes ATX an attractive drug target and its inhibition may lead to useful therapeutic agents. Through a high throughput screen (HTS), a series of small molecule inhibitors of ATX have been identified, which have subsequently been optimized for potency, selectivity and developability properties. This has delivered drug-like compounds such as 9v (CRT0273750) which modulate LPA levels in plasma and are suitable for in vivo studies. X-ray crystallography has revealed that these compounds have an unexpected binding mode in that they do not interact with the active site zinc ions but instead occupy the hydrophobic LPC pocket extending from the active site of ATX together with occupying the LPA 'exit' channel._x000D_ _x000D_ Reference: Shah P, Cheasty A, Foxton C, Raynham T, Farooq M, Gutierrez IF, Lejeune A, Pritchard M, Turnbull A, Pang L, Owen P, Boyd S, Stowell A, Jordan A, Hamilton NM, Hitchin JR, Stockley M, MacDonald E, Quesada MJ, Trivier E, Skeete J, Ovaa H, Moolenaar WH, Ryder H. Discovery of potent inhibitors of the lysophospholipase autotaxin. Bioorg Med Chem Lett. 2016 Nov 15;26(22):5403-5410. doi: 10.1016/j.bmcl.2016.10.036. Epub 2016 Oct 14. PMID: 27780639.
target
Novel potent inhibitor of the lysophospholipase autotaxin

3H-Imidazo[4,5-b]pyridine-2-propanamide, N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]- Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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