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

• ChemBase编号: 154970
• 分子式: C24H16N4S
• 平均质量: 392.47564
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
• IUPAC传统名: 4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
• 别名: 2,3,4,5-Tetra(4-pyridyl)thiophene; 4,4′,4′′,4′′′-Thiene-2,3,4,5-tetrayltetrapyridine; GANT58

登记号

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

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.3506296
• LogD (pH = 7.4): 3.4637976
• Log P: 3.4653118
• 摩尔折射率: 114.6492 cm^3
• 极化性: 49.479305 Å^3
• 极化表面积: 51.56 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL
• 外观: white to pale yellow

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

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

详细说明

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.