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101574-65-6,MFCD00567155
Catalog No.:AA0004QU
101574-65-6 | Benzoic acid, 4-hydroxy-, 2-[[4-(1-methylethyl)phenyl]methylene]hydrazide
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250mg
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Technical Information
Catalog Number:
AA0004QU
Chemical Name:
Benzoic acid, 4-hydroxy-, 2-[[4-(1-methylethyl)phenyl]methylene]hydrazide
CAS Number:
101574-65-6
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
MDL Number:
MFCD00567155
IUPAC Name:
4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
InChI:
InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
InChI Key:
IKPPIUNQWSRCOZ-WOJGMQOQSA-N
SMILES:
Oc1ccc(cc1)C(=O)NN=Cc1ccc(cc1)C(C)C
Properties
Computed Properties
 
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
GSK 4716 
GSK 4716 
2-[[4-(1-Methylethyl)phenyl]methylene]hydrazide 4-hydroxybenzoic acid 
2gpp 
AK175451 
AC1NSAUI 
C15642 
4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide 
ARONIS021012 
CHEMBL193836 
BDBM22438 
DTXSID40416242 
101574-65-6 
QCR-163 
CS-D0397 
GW4716 
STK077744 
AKOS000483304 
AN-3563 
BAS 00548951 
HY-33353 
AB0066202 
RT-013122 
GSK4716 
B7265 
GSK 4716, >=98% (HPLC) 
A16956 
J-000435 
4-hydroxy-N-[(E)-(4-isopropylphenyl)methyleneamino]benzamide 
4-hydroxy-N''-[(1E)-[4-(propan-2-yl)phenyl]methylidene]benzohydrazide 
4-hydroxy-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}benzohydrazide 
D0DX8T 
CID5331325 
C545235 
CHEBI:80000 
4-hydroxybenzoic acid 2-((4-(1-methylethyl)phenyl)methylene)hydrazide 
GSK-4716 
MFCD00567155 
(E)-4-hydroxy-N'-(4-isopropylbenzylidene)benzohydrazide 
4-Hydroxy-benzoic acid (4-isopropyl-benzylidene)-hydrazide 
4-Hydroxy-2-[(1E)-[4-(1-methylethyl)phenyl]methylene]hydrazide 
Literature

Title: Neurodevelopmental low-dose bisphenol A exposure leads to early life-stage hyperactivity and learning deficits in adult zebrafish.

Journal: Toxicology 20120127

Title: Identification of pyrido[1,2-α]pyrimidine-4-ones as new molecules improving the transcriptional functions of estrogen-related receptor α.

Journal: Journal of medicinal chemistry 20111110

Title: Estrogen-related receptor gamma is a key regulator of muscle mitochondrial activity and oxidative capacity.

Journal: The Journal of biological chemistry 20100716

Title: An ERRbeta/gamma agonist modulates GRalpha expression, and glucocorticoid responsive gene expression in skeletal muscle cells.

Journal: Molecular and cellular endocrinology 20100205

Title: Accessibility of the extracellular loops of follicle stimulating hormone receptor and their role in hormone-receptor interaction.

Journal: Molecular and cellular endocrinology 20100205

Title: Efficient discovery of selective small molecule agonists of estrogen-related receptor gamma using combinatorial approach.

Journal: Journal of combinatorial chemistry 20090101

Title: X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.

Journal: The Journal of biological chemistry 20061208

Title: Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.

Journal: Journal of medicinal chemistry 20050505

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