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O-Acetylsalicylhydroxamic acid

CAT: 0804-HY-168766-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168766-01Size:5 mg
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Description
O-Acetylsalicylhydroxamic acid is an acetylation inhibitor of prostaglandin H2 synthase that can suppress PGE2 synthesis in the body and block the cyclooxygenase activity of PGHS in vitro. O-Acetylsalicylhydroxamic acid requires the presence of the active site residue Ser-529 to act on human PGHS-1; the S529A mutant is resistant to the inactivation effects of this inhibitor[1].
CAS Number
199854-00-7
UNSPSC
12352211
Target
COX; Prostaglandin Receptor
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Field of Research
Inflammation/Immunology
Smiles
O=C(C)ONC(C1=C(O)C=CC=C1)=O
Molecular Formula
C9H9NO4
Molecular Weight
195.17
References & Citations
[1]P J Loll, et al. O-acetylsalicylhydroxamic acid, a novel acetylating inhibitor of prostaglandin H2 synthase: structural and functional characterization of enzyme-inhibitor interactions. Mol Pharmacol. 2001 Dec;60 (6) :1407-13.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Acetic Acid Salicyloyl-Amino-Ester
CAS Number199854-00-7
PubChem CID445302
IUPAC Name[(2-hydroxybenzoyl)amino] acetate
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP1.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
CC(=O)ONC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)
InChIKey
PCFWLDHLJWUGSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic Acid Salicyloyl-Amino-Ester
CAS: 199854-00-7
CID: 445302
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area75.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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