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251456-60-7 molecular structure
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7-{[4-(dimethylamino)phenyl]formamido}-N-hydroxyheptanamide

ChemBase ID: 153871
Molecular Formular: C16H25N3O3
Molecular Mass: 307.388
Monoisotopic Mass: 307.18959168
SMILES and InChIs

SMILES:
CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Canonical SMILES:
ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(C)C
InChI:
InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
InChIKey:
MXWDSZWTBOCWBK-UHFFFAOYSA-N

Cite this record

CBID:153871 http://www.chembase.cn/molecule-153871.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-{[4-(dimethylamino)phenyl]formamido}-N-hydroxyheptanamide
IUPAC Traditional name
7-{[4-(dimethylamino)phenyl]formamido}-N-hydroxyheptanamide
Synonyms
4-(Dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-benzamide
MS 344, D237
N-Hydroxy-7-(4-dimethylaminobenzoyl)-aminoheptanamide
M344
M344
4-(Dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
D 237
M 344
M 344 (Enzyme Inhibitor)
MS 344
N-Hydroxy-7-(4-dimethylaminobenzoyl)aminoheptanamide
CAS Number
251456-60-7
MDL Number
MFCD03453554
PubChem SID
162248010
PubChem CID
3994

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3994 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.907539  H Acceptors
H Donor LogD (pH = 5.5) 1.678456 
LogD (pH = 7.4) 1.669563  Log P 1.682845 
Molar Refractivity 87.3905 cm3 Polarizability 32.717518 Å3
Polar Surface Area 81.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: soluble10 mg/mL, clear expand Show data source
Apperance
white to beige powder expand Show data source
Storage Condition
protect from light expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
HDAC expand Show data source
Purity
≥98% (HPLC) expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C16H25N3O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - M5820 external link
Biochem/physiol Actions
M344 is a HDAC inhibitor; subtype selective for HDAC6 over HDAC1. M344 inhibits HDAC (IC50 = 100 nM) and also inhibits hyperacetylation of histone H4, terminal cell differentiation, transcription (γ-globin), and tumor cell death.
Toronto Research Chemicals - H941480 external link
Histone deacetylase inhibitor III. A cell-permeable amide analog of Trichostatin A that potently inhibits HDACs.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jung, M., et al.: J. Med. Chem., 42, 4669 (1999)
  • • Ramiszewski, S.W., et al.: J. Med. Chem., 45, 753 (1999)
  • • Gregoretti, I., et al.: J. Mol. Biol., 338, 17 (1999)
  • • Gennadios, H., et al.: Biochemistry, 45, 7940 (1999)
  • • Bottomley, M., et al.: J. Biol. Chem.,
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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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