2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide

• ChemBase编号: 105999
• 分子式: C18H24N2OS
• 平均质量: 316.46096
• 单一同位素质量: 316.1609344
• SMILES: CC(C)(C)c1cc(/C=C(/C#N)\C(=S)N)cc(c1O)C(C)(C)C
• Canonical SMILES: N#C/C(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N
• InChI: InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)
• InChIKey: XRZYELWZLNAXGE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide
• IUPAC传统名: 2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide
• 别名: 3,5-Di-t-butyl-4-hydroxybenzylidine cyanothioacetamide; AG-879

登记号

• PubChem SID: 162105908
• PubChem CID: 5487525

理论计算性质

• Acid pKa: 9.702134
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 4.817393
• LogD (pH = 7.4): 4.815369
• Log P: 4.817419
• 摩尔折射率: 97.2393 cm^3
• 极化性: 37.144657 Å^3
• 极化表面积: 70.04 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02195715

Purity: 99%
A tyrphostin family member which inhibits the NGF receptor autophosphorylation selectively with no inhibition of EGF or PDGF receptor phosphorylation. Inhibits NGF-induced neurite outgrowth in PC12 cells.