N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide

• ChemBase编号: 154460
• 分子式: C26H22N2O2
• 平均质量: 394.46508
• 单一同位素质量: 394.16812795
• SMILES: CC(c1ccccc1)C(=O)Nc1cccc(c1)/N=C/c1c2ccccc2ccc1O
• Canonical SMILES: CC(c1ccccc1)C(=O)Nc1cccc(c1)/N=C/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)
• InChIKey: HQSSEGBEYORUBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide
• IUPAC传统名: N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide
• 别名: N-{3-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-phenyl}-2-phenyl-propionamide; Salermide

登记号

• CAS号: 1105698-15-4
• MDL号: MFCD12912446
• PubChem SID: 162248599
• PubChem CID: 42626405

理论计算性质

• Acid pKa: 8.648076
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 6.148105
• LogD (pH = 7.4): 6.1247544
• Log P: 6.1484547
• 摩尔折射率: 123.9781 cm^3
• 极化性: 46.966408 Å^3
• 极化表面积: 61.69 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL
• 外观: powder, yellow

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 43-52/53
• 安全公开号: 36/37-61
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H317-H412
• GHS警示性声明: P273-P280
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C26H22N2O2

详细说明

Sigma Aldrich - S8825

Biochem/physiol Actions
Salermide is a novel Sirtuin 1 (Sirt1) and Sirtuin 2 (Sirt2) inhibitor (III histone deacetylases inhibitor). In vitro Salermide has a stronger inhibitory effect on Sirt2 than on Sirt1. Salermide induces massive apoptosis in tumor cells. The activity was ascribed to effect of Salermide to the reactivation of proapoptotic genes epigenetically repressed exclusively in cancer cells by Sirt1. Salermide is a stronger Sirtuin inhibitor than sirtinol (Cat. No.S7942).