SB-431542
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Grundinformationen
- CAS
301836-41-9- Standard-SMILES
NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1- InChIKey
FHYUGAJXYORMHI-UHFFFAOYSA-N- Summenformel
- C22H16N4O3
- Durchschnittliche Molmasse
- 384,395 g/mol
- Monoisotopische Masse
- 384,12224037
Namen und Bezeichner
- Bevorzugter Name
- SB-431542
- IUPAC
- 4-[4-(2H-1,3-Benzodioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
- Englischer Name
- SB 431542
- Summenformel
- C22H16N4O3
- Molmasse
- 384.39
Namen und Synonyme
CS-89SB 431542SB 431542, >=98%SB 431542 HYDRATESB-431542/SB431542SB 431542USP/EP/BPSB-431542 (Standard)SB431542, ALK inhibitorSB-431542, 10 mM in DMSOSB-431542, Sterile-Filtered
Datenbank-Bezeichner
- CAS
301836-41-9- PubChem CID
- 4521392
- DTXSID
DTXSID7042693- ChEMBL
CHEMBL440084- ChEBI
CHEBI:91108- UNII
- E1557V1V0N
- EC Number
- 188-365-3
- Nikkaji
- J1.722.247C
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 214 °C · 214 °C(dec.)
- Siedepunkt
- 662.4 · 662.4±55.0 °C(Predicted)
- Dichte
- 1.373 · 1.373
- Flammpunkt
- 354.4 ℃ · 354.4℃
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- 10 mg/mL, · DMSO: 10 mg/mL, soluble
- Aggregatzustand
- powder
- pka
- 10.14 · 10.14±0.10(Predicted)
- Farbe
- Yellow
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
- InChI
- InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
- InChIKey
- FHYUGAJXYORMHI-UHFFFAOYSA-N
- SMILES
- C(N)(=O)C1=CC=C(C2NC(C3=NC=CC=C3)=C(C3=CC=C4OCOC4=C3)N=2)C=C1
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
- hs_code
- 29349990
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungSB-431542 is a potent and selective inhibitor of the TGF-β1 receptor ALK5 (IC50 = 94 nM). It is a less potent antagonist of ALK4 (IC50 = 140 nM) and ALK7. It does not affect the BMP receptors ALK2, ALK3, ALK6, or a panel of other kinases tested. SB-431542 specifically blocks Smad signaling, reducing gene expression relevant to fibrosis and cancer. Through its effects on ALK/Smad signaling, SB-431542 suppresses renewal in embryonic and induced pluripotent stem cells and promotes their differentiation.
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring.
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