4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine

• ChemBase ID: 154970
• Molecular Formular: C24H16N4S
• Molecular Mass: 392.47564
• Monoisotopic Mass: 392.10956753
• SMILES: c1cnccc1c1c(c(sc1c1ccncc1)c1ccncc1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1sc(c(c1c1ccncc1)c1ccncc1)c1ccncc1
• InChI: InChI=1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
• InChIKey: USWLOKMMUTWFMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
• IUPAC Traditional name: 4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
• Synonyms: 2,3,4,5-Tetra(4-pyridyl)thiophene; 4,4′,4′′,4′′′-Thiene-2,3,4,5-tetrayltetrapyridine; GANT58

Database IDs

• CAS Number: 64048-12-0
• MDL Number: MFCD01103196
• PubChem SID: 162249108
• PubChem CID: 253078

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3506296
• LogD (pH = 7.4): 3.4637976
• Log P: 3.4653118
• Molar Refractivity: 114.6492 cm^3
• Polarizability: 49.479305 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >10 mg/mL
• Apperance: white to pale yellow

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C24H16N4S

DETAILS

Sigma Aldrich - G8923

Biochem/physiol Actions
GANT58 is a Hedgehog signaling pathway inhibitor. GANT58 inhibits the hedgehog signaling pathway downstream of Smo. GANT58 inhibits Gli transcriptional activity, and reduces cellular levels of the Hh pathway components Gli1, Shh, and patched.