4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]-benzamide
Basic information
- CAS
193551-00-7- Standard SMILES
CN(C)c1ccc(C(=O)NCCCCCC(=O)NO)cc1- InChIKey
RGWSSTALGUXZMU-UHFFFAOYSA-N- Molecular formula
- C15H23N3O3
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.1739416
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]-benzamide
- IUPAC
- 4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
- English name
- 4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]-benzamide
- Molecular formula
- C15H23N3O3
- Molecular weight
- 293.36
Names & synonyms
193551-00-74-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]-benzamideCAY103984-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamideMD 854-(dimethylamino)-N-(6-(hydroxyamino)-6-oxohexyl)benzamideMFCD05863979CHEMBL46942Benzamide, 4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]-HDInhib_000016MD85orb2283581
Show more names
SCHEMBL1232527DTXSID50274411GLXC-22675HMS3649O22BDBM50082666CCG-208682EBC-419059NCGC00263610-05
Database identifiers
- CAS
193551-00-7- PubChem CID
- 3811
- DTXSID
DTXSID50274411- ChEMBL
CHEMBL46942- Nikkaji
- J1.216.501C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMF:PBS (pH 7.2) (1:5): 300 μg/ml; DMSO: 14 mg/ml; Ethanol: 1 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
DescriptionCAY10398 is an inhibitor of histone deacetylase (HDAC1) with an IC50 value of 10 μM. Similar potency is observed with trapoxin A and B, whereas trichostatin A is more potent inhibitor of the enzyme. Trichostatin A also selectively inhibits the removal of acetyl groups from the amino-terminal lysine residues of core histones, which modulates the access of transcription factors to the underlying genomic DNA. However, trichostatin A is much more expensive than CAY10398. CAY10398 thus represents a selective and cost-effective compound for the inhibition of HDAC.
UsesA histone deacetylase (HDAC1) inhibitor
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