N-{3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl}acetamide

• ChemBase编号: 105254
• 分子式: C20H34N2O2
• 平均质量: 334.49616
• 单一同位素质量: 334.26202834
• SMILES: CCCCCCCCCCN(C)c1cc(NC(=O)C)cc(CO)c1
• Canonical SMILES: CCCCCCCCCCN(c1cc(CO)cc(c1)NC(=O)C)C
• InChI: InChI=1S/C20H34N2O2/c1-4-5-6-7-8-9-10-11-12-22(3)20-14-18(16-23)13-19(15-20)21-17(2)24/h13-15,23H,4-12,16H2,1-3H3,(H,21,24)
• InChIKey: YGFQCJGXLSFQPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl}acetamide
• IUPAC传统名: N-{3-[decyl(methyl)amino]-5-(hydroxymethyl)phenyl}acetamide
• 别名: 3-(N-乙酰胺基)-5-(N-癸基-N-甲胺基)苄醇; 3-(N-Acetylamino)-5-(N-decyl-N-methylamino)benzyl alcohol; ADMB; 3-(N-ACETYLAMINO)-5-(N-DECYL-N-METHYLAMINO)BENZYL ALCOHOL

登记号

• CAS号: 103955-90-4
• MDL号: MFCD00132953
• PubChem SID: 162092803; 24890915
• PubChem CID: 2032

理论计算性质

• Acid pKa: 14.103669
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 4.4941645
• LogD (pH = 7.4): 4.5423117
• Log P: 4.542961
• 摩尔折射率: 103.6451 cm^3
• 极化性: 39.06426 Å^3
• 极化表面积: 52.57 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 2-8°C
• 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

产品相关信息

• 级别: analytical standard, for drug analysis
• Empirical Formula (Hill Notation): C20H34N2O2

详细说明

MP Biomedicals - 02159549

A Protein Kinase C activator.

Sigma Aldrich - A4813

Biochem/physiol Actions
A designed activator of protein kinase C shown to increase the surface expression of the tumor-associated antigen BCA 225 and various cellular antigens in T47D cells.

参考文献

• Proc. Nat. Acad. Sci. USA , 83 : 4214, (1986).