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Home Other Building Blocks 4-Anilino-4-oxobutanoic acid

4-Anilino-4-oxobutanoic acid

CAS No.:
102-14-7
Catalog Number:
AG000681
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$85
- +
5g
95%
In Stock USA
United States
$257
- +
25g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG000681
Chemical Name:
4-Anilino-4-oxobutanoic acid
CAS Number:
102-14-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00029825
IUPAC Name:
4-anilino-4-oxobutanoic acid
InChI:
InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChI Key:
KTFGFGGLCMGYTP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCC(=O)O
UNII:
L4V0G8222E
NSC Number:
56471
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
N-Phenyl-succinamic acid. Acta crystallographica. Section E, Structure reports online 20110201
Interpreting clinical assays for histone deacetylase inhibitors. Cancer management and research 20110101
Targeting histone deacetyalses in the treatment of B- and T-cell malignancies. Investigational new drugs 20101201
Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. Bioorganic & medicinal chemistry letters 20100301
Stability studies of vorinostat and its two metabolites in human plasma, serum and urine. Journal of pharmaceutical and biomedical analysis 20061116
A liquid chromatography-electrospray ionization tandem mass spectrometric assay for quantitation of the histone deacetylase inhibitor, vorinostat (suberoylanilide hydroxamicacid, SAHA), and its metabolites in human serum. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060818
High turbulence liquid chromatography online extraction and tandem mass spectrometry for the simultaneous determination of suberoylanilide hydroxamic acid and its two metabolites in human serum. Rapid communications in mass spectrometry : RCM 20050101
Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. Journal of medicinal chemistry 20031218
Properties