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102-14-7,MFCD00029825
Catalog No.:AA000659
102-14-7 | 4-Anilino-4-oxobutanoic acid
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Technical Information
Catalog Number:
AA000659
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
Computed 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  

Synonyms
 
102-14-7 
Succinanilic acid 
BUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)- 
3-(phenylcarbamoyl)propanoic acid 
UNII-L4V0G8222E 
NSC 56471 
Succinamic acid, N-phenyl- 
BRN 2806264 
CHEMBL152730 
L4V0G8222E 
NSC56471 
Propionic acid, 3-(phenylcarbamoyl)- 
4-Anilino-4-oxobutanoic acid 
3-(N-phenylcarbamoyl)propanoic acid 
Succinanilsaure 
butanedioic acid anilide 
n-phenylsuccinamidic acid 
Maybridge1_006842 
ChemDiv2_000397 
AC1L1P4J 
Cambridge id 5133967 
4-oxo-4-anilinobutyric acid 
Oprea1_388074 
4-Oxo-4-(phenylamino)butanoic acid 
Oprea1_552059 
SCHEMBL94252 
4-12-00-00468 (Beilstein Handbook Reference) 
4-anilino-4-oxo-butanoic acid 
ARONIS018275 
CTK4A0735 
HMS560O22 
KS-00004AHT 
ZINC83831 
DTXSID20144511 
N-Phenylsuccinamic acid 
KTFGFGGLCMGYTP-UHFFFAOYSA-N 
HMS1370C01 
4-oxo-4-(phenylamino)butyric acid 
3-(n-phenylcarbamoyl)propionic acid 
AC1Q7569 
ALBB-012006 
4-(phenylamino)-4-oxobutanoic acid 
4-oxo-4-(phenylamino)-butanoic aci 
7601AC 
BBL036006 
Succinic monoanilide 
BDBM50136839 
CCG-44906 
MFCD00029825 
NSC-56471 
SBB006920 
STK018310 
AKOS000296139 
Butanoic acid,4-oxo-4-(phenylamino)- 
MCULE-2207328919 
AJ-10654 
Succinic acid monoanilide 
AS-32051 
BAS 00281092 
LS-46387 
ST058108 
FT-0662224 
A-2174 
SR-01000418000 
I04-5396 
J-000635 
SR-01000418000-1 
4-Oxo-4-phenylaminobutanoic acid 
SR-01000418000-2 
Z56176896 
F0722-4214 
C10H11NO3 
CID7598 
C10-H11-N-O3 
N-Phenyl-succinamic acid 
N-Phenylbutanedioic acid monoamide 
Literature

Title: N-Phenyl-succinamic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Interpreting clinical assays for histone deacetylase inhibitors.

Journal: Cancer management and research 20110101

Title: Targeting histone deacetyalses in the treatment of B- and T-cell malignancies.

Journal: Investigational new drugs 20101201

Title: Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore.

Journal: Bioorganic & medicinal chemistry letters 20100301

Title: Stability studies of vorinostat and its two metabolites in human plasma, serum and urine.

Journal: Journal of pharmaceutical and biomedical analysis 20061116

Title: 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: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060818

Title: 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.

Journal: Rapid communications in mass spectrometry : RCM 20050101

Title: Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.

Journal: Journal of medicinal chemistry 20031218

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