4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide

Base Information

• Chemical Name: 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide
• CAS No.: 301836-41-9
• Molecular Formula: C22H16N4O3
• Molecular Weight: 384.39
• Hs Code.: 29349990
• UNII: E1557V1V0N
• ChEMBL ID: CHEMBL440084
• DSSTox Substance ID: DTXSID7042693
• Nikkaji Number: J1.722.247C
• Pharos Ligand ID: XFTPTVYZ6PTY
• Wikidata: Q7388913
• Wikipedia: SB-431542
• Mol file: 301836-41-9.mol

Synonyms:4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide;SB 431542;SB-431542;SB431542

Chemical Property of 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide

Chemical Property:

• Vapor Pressure: 2.05E-17mmHg at 25°C
• Melting Point: 214 °C(dec.)
• Refractive Index: 1.679
• Boiling Point: 662.4 °C at 760 mmHg
• PKA: 10.14±0.10(Predicted)
• Flash Point: 354.4 °C
• PSA: 103.12000
• Density: 1.373 g/cm³
• LogP: 4.33360
• Storage Temp.: −20°C
• Solubility.: DMSO: 10 mg/mL, soluble
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 384.12224039
• Heavy Atom Count: 29
• Complexity: 582

Purity/Quality:

99% ^*data from raw suppliers

SB 431542 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
• Description: SB-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.
• Uses: SB 431542 is a known Src family kinase inhibitor that effectively blocks the transforming growth factor-β1-induced cell migration and invasion in both established and primary carcinoma cells. SB 431542 is a known Src family kinase inhibitor that effectively blocks the transforming growth factor-β1-induced cell migration and invasion in both established and primary carcinoma cells. Potent TGF-beta inhibitor.