N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

• ChemBase编号: 154610
• 分子式: C11H9ClF3NO2
• 平均质量: 279.6428696
• 单一同位素质量: 279.02739087
• SMILES: CC(=O)CC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
• Canonical SMILES: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CC(=O)C
• InChI: InChI=1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)
• InChIKey: GNYIJZMBLZXJEJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
• IUPAC传统名: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
• 别名: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide; N-[4-Chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide; Fasentin

登记号

• CAS号: 392721-37-8
• MDL号: MFCD01001285
• PubChem SID: 162248748
• PubChem CID: 879520

理论计算性质

• Acid pKa: 10.585191
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.9146998
• LogD (pH = 7.4): 2.9144201
• Log P: 2.9147034
• 摩尔折射率: 61.5947 cm^3
• 极化性: 22.213797 Å^3
• 极化表面积: 46.17 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 off-white powder
• 疏水性(logP): 2.739

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
• 保存温度: room temp

产品相关信息

• 纯度: ≥98% (HPLC); 95%
• Empirical Formula (Hill Notation): C11H9ClF3NO2

详细说明

Sigma Aldrich - F5557

Biochem/physiol Actions
Fasentin is a novel inhibitor of glucose uptake, GluT1 inhibitor. Fasentin is a novel inhibitor of glucose uptake that sensitizes cells to FAS-induced cell death. Fasentin selectively sensitized to death ligands, but did not decrease FLIP expression. It alters expression of genes associated with nutrient and glucose deprivation. Fasentin interacted with a unique site in the intracellular channel of the glucose transport protein GLUT1.