N'-[(5-methylfuran-2-yl)methylidene]-2-phenoxybenzohydrazide

• ChemBase编号: 154525
• 分子式: C19H16N2O3
• 平均质量: 320.34194
• 单一同位素质量: 320.11609238
• SMILES: Cc1ccc(o1)/C=N\NC(=O)c1ccccc1Oc1ccccc1
• Canonical SMILES: Cc1ccc(o1)/C=N\NC(=O)c1ccccc1Oc1ccccc1
• InChI: InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)
• InChIKey: JJEDWBQZCRESJL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-[(5-methylfuran-2-yl)methylidene]-2-phenoxybenzohydrazide
• IUPAC传统名: N'-[(5-methylfuran-2-yl)methylidene]-2-phenoxybenzohydrazide
• 别名: Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide; PNU-74654

登记号

• CAS号: 113906-27-7
• MDL号: MFCD12912438
• PubChem SID: 162248664
• PubChem CID: 68672283

理论计算性质

• Acid pKa: 9.797059
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.72321
• LogD (pH = 7.4): 3.7216911
• Log P: 3.72323
• 摩尔折射率: 92.0169 cm^3
• 极化性: 34.27292 Å^3
• 极化表面积: 63.83 Å^2
• 可自由旋转的化学键: 5
• 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 off-white solid

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C19H16N2O3

详细说明

Sigma Aldrich - P0052

Biochem/physiol Actions
PNU-74654 inhibits the Wnt-β catenin pathway by blocking the interaction between β-catenin and TCF (T cell factor). PNU-74654 is also an anti-tumor agent. Aberrant activation of the Wnt/β-catenin pathway (canonical pathway) is implicated in driving development/progression of different tumors, such as colon cancer, through interaction between β-catenin and T cell factor (TCF), which regulates the expression of target genes in cell proliferation and differentiation. Inhibition of this pathway activity in cancer cell lines efficiently blocks their growth. PNU-74654 inhibits this pathway by blocking the interaction between β-catenin and TCF.