7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

• ChemBase编号: 105791
• 分子式: C17H22N2O3
• 平均质量: 302.36818
• 单一同位素质量: 302.16304257
• SMILES: CC(/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C
• Canonical SMILES: ONC(=O)/C=C/C(=C/C(C(=O)c1ccc(cc1)N(C)C)C)/C
• InChI: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)
• InChIKey: RTKIYFITIVXBLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
• IUPAC传统名: 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
• 别名: 7-[4-(Dimethylamino)phenyl]-N-hydroxy-4, 6R-dimethyl-7-oxo-2E, 4E-heptadienamide; TRICHOSTATIN A

登记号

• CAS号: 58880-19-6
• PubChem SID: 162087173
• PubChem CID: 6376322

理论计算性质

• Acid pKa: 9.567311
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.406459
• LogD (pH = 7.4): 2.4066641
• Log P: 2.409631
• 摩尔折射率: 90.2389 cm^3
• 极化性: 33.119965 Å^3
• 极化表面积: 69.64 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• RTECS编号: MI5215000

产品相关信息

• 纯度: ≥98%

详细说明

MP Biomedicals - 02199126

(4-6-Dimethyl-7-(p-dimethylaminophenyl)-7-oxohepta-2,4-dienohydroxamic acid)
Purity:≥ 98%
Synthetic
Inhibitor of lL-2 gene expression. Reversible inhibitor of histone deacetylase.

MP Biomedicals - 02194146

From Streptomyces sp.
Purity: >98%
Induces Friend Cell differentiation and inhibition of G1 and G2 phases in rat fibroblasts.