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

• ChemBase ID: 105791
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
• IUPAC Traditional name: 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
• Synonyms: 7-[4-(Dimethylamino)phenyl]-N-hydroxy-4, 6R-dimethyl-7-oxo-2E, 4E-heptadienamide; TRICHOSTATIN A

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 9.567311
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.406459
• LogD (pH = 7.4): 2.4066641
• Log P: 2.409631
• Molar Refractivity: 90.2389 cm^3
• Polarizability: 33.119965 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• RTECS: MI5215000

Product Information

• Purity: ≥98%

DETAILS

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.