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6-{2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl}-N-hydroxyhexanamide
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ChemBase ID:
154178
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Molecular Formular:
C18H18N2O4
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Molecular Mass:
326.34652
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Monoisotopic Mass:
326.12665707
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SMILES and InChIs
SMILES:
c1cc2cccc3c2c(c1)c(=O)n(c3=O)CCCCCC(=O)NO
Canonical SMILES:
ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
InChI:
InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKey:
JTDYUFSDZATMKU-UHFFFAOYSA-N
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Cite this record
CBID:154178 http://www.chembase.cn/molecule-154178.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6-{2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl}-N-hydroxyhexanamide
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IUPAC Traditional name
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6-{2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl}-N-hydroxyhexanamide
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Synonyms
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6-(1,3-Dioxo-1H, 3H-benzo[de]isoquinolin-2-yl)-hexanoic acid hydroxyamide
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Scriptaid
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Scriptide
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Scriptaid
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N-Hydroxy-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-hexanamide
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GCK 1026
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Scriptide
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.907538
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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1.989077
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LogD (pH = 7.4)
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1.9760175
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Log P
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1.9892461
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Molar Refractivity
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88.9895 cm3
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Polarizability
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34.517284 Å3
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Polar Surface Area
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86.71 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
TRC
Sigma Aldrich -
S7817
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Legal Information Sold under license of U.S. Patent No. 6,544,957. Biochem/physiol Actions Histone deacetylase inhibitor with lower toxicity than trichostatin A; used to enhance protein expression. |
Toronto Research Chemicals -
S201500
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Histone deacetylase inhibitor. A cell-permeable, relatively non-toxic HDAC inhibitor that facilitates transcriptional activation (TGFβ/Smad4) in both stable and transient receptor assays in a concentration-dependent manner. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Won, J., et al.: Proc. Natl. Acad. Sci., 101, 11328 (2004)
- • Su, G.H., et al.: Cancer Res., 60, 3137 (2004)
- • Backs, J., et al.: J. Clin. Invest. 116, 1853 (2004)
- • Fath, D., et al.: J. Biol. Chem., 281, 13612 (2004)
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PATENTS
PATENTS
PubChem Patent
Google Patent