3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

• ChemBase编号: 154182
• 分子式: C30H47NOSi
• 平均质量: 465.78578
• 单一同位素质量: 465.34269166
• SMILES: CCCCCCCCCC[Si](C)(C)CCC(=O)NC(Cc1ccc(cc1)C)c1ccccc1
• Canonical SMILES: CCCCCCCCCC[Si](CCC(=O)NC(c1ccccc1)Cc1ccc(cc1)C)(C)C
• InChI: InChI=1S/C30H47NOSi/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32)
• InChIKey: NBYATBIMYLFITE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
• IUPAC传统名: 3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
• 别名: 3-[Decyldimethylsilyl]-N-[2-(4-methylphenyl)-1-phenethyl]propanamide; SA 58-035; Sandoz 58-035

登记号

• CAS号: 78934-83-5
• MDL号: MFCD00161339
• PubChem SID: 162248321; 24278227
• PubChem CID: 122215

理论计算性质

• Acid pKa: 15.806283
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 9.089699
• LogD (pH = 7.4): 9.0897
• Log P: 9.0897
• 摩尔折射率: 139.9689 cm^3
• 极化性: 57.213985 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: soluble16 mg/mL; H2O: insoluble
• 外观: white powder

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... SOAT1(6646)rat ... Soat1(81782)

产品相关信息

• 纯度: >98% (HPLC)
• Empirical Formula (Hill Notation): C30H47NOSi

详细说明

Sigma Aldrich - S9318

Biochem/physiol Actions
Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor.