Home Sulfos p-Aminosulfonyldihydrocinnamic acid

p-Aminosulfonyldihydrocinnamic acid

CAS No.:
90610-69-8
Catalog Number:
AG00GSBC
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$125
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00GSBC
Chemical Name:
p-Aminosulfonyldihydrocinnamic acid
CAS Number:
90610-69-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD06659895
IUPAC Name:
3-(4-sulfamoylphenyl)propanoic acid
InChI:
InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
InChI Key:
JUEONDBIBADVGD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target. Journal of medicinal chemistry 20120412
Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata. Bioorganic & medicinal chemistry letters 20110115
Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c. Bioorganic & medicinal chemistry letters 20091201
Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorganic & medicinal chemistry 20090715
Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorganic & medicinal chemistry 20090701
Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. Journal of medicinal chemistry 20090514
Molecular cloning, characterization, and inhibition studies of the Rv1284 beta-carbonic anhydrase from Mycobacterium tuberculosis with sulfonamides and a sulfamate. Journal of medicinal chemistry 20090423
Carbonic anhydrase inhibitors: inhibition of the beta-class enzyme from the yeast Saccharomyces cerevisiae with sulfonamides and sulfamates. Bioorganic & medicinal chemistry 20090201
Properties