sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester

1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester

CAS No.:
4450-98-0
Catalog Number:
AG003E00
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$161
- +
10mg
≥98%
1 week
United States
$214
- +
Product Description
Catalog Number:
AG003E00
Chemical Name:
1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
CAS Number:
4450-98-0
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD00179167
IUPAC Name:
ethyl 1-benzyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
InChI:
InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3
InChI Key:
IGYRPDIWSYGHMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)C(=O)N(C1)Cc1ccccc1
UNII:
MW8LQ9P85C
NSC Number:
229530
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Cancer biomarker AKR1B10 and carbonyl metabolism. Chemico-biological interactions 20090316
Inhibiting wild-type and C299S mutant AKR1B10; a homologue of aldose reductase upregulated in cancers. European journal of pharmacology 20080428
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Phorbol ester up-regulates aldose reductase expression in A549 cells: a potential role for aldose reductase in cell cycle modulation. Cellular and molecular life sciences : CMLS 20050501
Inhibition of aldose reductase enhances HeLa cell sensitivity to chemotherapeutic drugs and involves activation of extracellular signal-regulated kinases. Anti-cancer drugs 20020901
Properties