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101574-65-6

101574-65-6 | Benzoic acid, 4-hydroxy-, 2-[[4-(1-methylethyl)phenyl]methylene]hydrazide

CAS No: 101574-65-6 Catalog No: AG0004TM MDL No:

Product Description

Catalog Number:
AG0004TM
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
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

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  

Literature

Title Journal
Neurodevelopmental low-dose bisphenol A exposure leads to early life-stage hyperactivity and learning deficits in adult zebrafish. Toxicology 20120127
Identification of pyrido[1,2-α]pyrimidine-4-ones as new molecules improving the transcriptional functions of estrogen-related receptor α. Journal of medicinal chemistry 20111110
Estrogen-related receptor gamma is a key regulator of muscle mitochondrial activity and oxidative capacity. The Journal of biological chemistry 20100716
An ERRbeta/gamma agonist modulates GRalpha expression, and glucocorticoid responsive gene expression in skeletal muscle cells. Molecular and cellular endocrinology 20100205
Accessibility of the extracellular loops of follicle stimulating hormone receptor and their role in hormone-receptor interaction. Molecular and cellular endocrinology 20100205
Efficient discovery of selective small molecule agonists of estrogen-related receptor gamma using combinatorial approach. Journal of combinatorial chemistry 20090101
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. The Journal of biological chemistry 20061208
Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma. Journal of medicinal chemistry 20050505

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