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1105698-15-4 molecular structure
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N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide

ChemBase ID: 154460
Molecular Formular: C26H22N2O2
Molecular Mass: 394.46508
Monoisotopic Mass: 394.16812795
SMILES and InChIs

SMILES:
CC(c1ccccc1)C(=O)Nc1cccc(c1)/N=C/c1c2ccccc2ccc1O
Canonical SMILES:
CC(c1ccccc1)C(=O)Nc1cccc(c1)/N=C/c1c(O)ccc2c1cccc2
InChI:
InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)
InChIKey:
HQSSEGBEYORUBY-UHFFFAOYSA-N

Cite this record

CBID:154460 http://www.chembase.cn/molecule-154460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide
IUPAC Traditional name
N-(3-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}phenyl)-2-phenylpropanamide
Synonyms
N-{3-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-phenyl}-2-phenyl-propionamide
Salermide
CAS Number
1105698-15-4
MDL Number
MFCD12912446
PubChem SID
162248599
PubChem CID
42626405

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
S8825 external link Add to cart Please log in.
Data Source Data ID
PubChem 42626405 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.648076  H Acceptors
H Donor LogD (pH = 5.5) 6.148105 
LogD (pH = 7.4) 6.1247544  Log P 6.1484547 
Molar Refractivity 123.9781 cm3 Polarizability 46.966408 Å3
Polar Surface Area 61.69 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >10 mg/mL expand Show data source
Apperance
powder, yellow expand Show data source
Storage Condition
desiccated expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43-52/53 expand Show data source
Safety Statements
36/37-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317-H412 expand Show data source
GHS Precautionary statements
P273-P280 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C26H22N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S8825 external link
Biochem/physiol Actions
Salermide is a novel Sirtuin 1 (Sirt1) and Sirtuin 2 (Sirt2) inhibitor (III histone deacetylases inhibitor). In vitro Salermide has a stronger inhibitory effect on Sirt2 than on Sirt1. Salermide induces massive apoptosis in tumor cells. The activity was ascribed to effect of Salermide to the reactivation of proapoptotic genes epigenetically repressed exclusively in cancer cells by Sirt1. Salermide is a stronger Sirtuin inhibitor than sirtinol (Cat. No.S7942).

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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