BAY-41-2272
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Grundinformationen
- CAS
256376-24-6- Standard-SMILES
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1- InChIKey
ATOAHNRJAXSBOR-UHFFFAOYSA-N- Summenformel
- C20H17FN6
- Durchschnittliche Molmasse
- 360,396 g/mol
- Monoisotopische Masse
- 360,14987276
Namen und Bezeichner
- Bevorzugter Name
- BAY-41-2272
- IUPAC
- 5-Cyclopropyl-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-4-amine
- Englischer Name
- Bay 41-2272
- Summenformel
- C20H17FN6
- Molmasse
- 360.39
Namen und Synonyme
IN1523UNII-34A162J6WBBAY 41-2272 (BAY 412272BAY 41-2272, 10 mM in DMSOBAY 41-2272, Soluble guanylyl cyclase (sGC) activatorInhibitor,inhibit,Guanylate Cyclase,BAY 41 2272,BAY 412272,BAY 41-22723-(4-Amino-5-cyclopropylpyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazolo[35-Cyclopropyl-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-amine5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine5-Cyclopropyl-2-[1-[(2-fluorophenyl)Methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyriMidinaMine
Datenbank-Bezeichner
- CAS
256376-24-6- PubChem CID
- 9798973
- DTXSID
DTXSID90180320- ChEMBL
CHEMBL353759- ChEBI
CHEBI:142435- UNII
- 34A162J6WB
- EC Number
- 636-738-0
- Nikkaji
- J1.500.688I
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 210.5 · 210.5-211.4 °C
- Siedepunkt
- 496.1 · 496.1±45.0 °C(Predicted)
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- 26 mg/mL · DMSO: 26 mg/mL at 60 °C
- Aggregatzustand
- solid
- pka
- 2.71 · 2.71±0.10(Predicted)
- Farbe
- white
- InChI
- 1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
- InChIKey
- ATOAHNRJAXSBOR-UHFFFAOYSA-N
- SMILES
- Nc1nc(ncc1C2CC2)-c3nn(Cc4ccccc4F)c5ncccc35
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungSoluble guanylate cyclase (sGC), a receptor for nitric oxide (NO), is a heterodimer consisting of alpha and beta subunits, with the beta subunit featuring a heme-nitric oxide (H-NOX) binding domain. The binding of NO to H-NOX induces sGC to generate the second messenger cGMP. BAY 41-2272 is a pyrazolopyridine compound that acts as an activator of sGC, stimulating activity to a level that would be expected to cause biologically important increases in cGMP at concentrations as low as 10-100 nM. Through this effect, it inhibits platelet aggregation (IC50 = 36 nM), induces relaxation of phenylephrine-preconstricted rabbit aorta rings (IC50 = 304 nM), and reduces proliferation in smooth muscle. BAY 41-2272 is effective in vivo, as it decreases mean arterial blood pressure in hypertensive rats. Unlike another sGC activator, YC-1 , BAY 41-2772 does not inhibit phosphodiesterases.
VerwendenBAY 41-2272 is a soluble guanylate cyclase agonist that activates human mononuclear phagocytes. Inhibits vascular smooth muscle growth through the cAMP-dependent protein kinase and cGMP-dependent protein kinase pathways.
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