Structure

5-Aminosalicylic acid

CAS
89-57-6
Catalog Number
ACM89576-1
Category
Amino Acids
Molecular Weight
153.14
Molecular Formula
H2NC6H3-2-(OH)CO2H

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Specification

Description
5-Aminosalicylic acid (Mesalamine) acts as a specific PPARγ agonist and also inhibits p21-activated kinase 1 (PAK1) and NF-κB.
Synonyms
5-AS, 5-Amino-2-hydroxybenzoic acid, Mesalamine
IUPAC Name
5-Amino-2-hydroxybenzoic acid
Canonical SMILES
Nc1ccc(O)c(c1)C(O)=O
InChI
1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
InChI Key
KBOPZPXVLCULAV-UHFFFAOYSA-N
Boiling Point
276.03 °C
Melting Point
275-280 ℃(dec.) (lit.)
Flash Point
279-281 °C
Density
1.3585 g/cm³
Solubility
Insoluble in ethanol
Appearance
Solid
Application
5-Aminosalicylic acid is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is brown in color and can be read spectrophotometrically at 450 nm. The reaction may be stopped with 3 N NaOH and read at 550 nm.
Storage
2-8 °C
Assay
0.95
Beilstein
2090421
Complexity
160
EC Number
201-919-1
Exact Mass
153.042593085
Form
powder with small lumps
Gene Information
human ALOX5(240), PPARG(5468), PTGS1(5742), PTGS2(5743)
Hazard Statements
Xi
MDL Number
MFCD00007877
Monoisotopic Mass
153.042593085
NACRES
NA.22
PubChem ID
24891301
Quality Level
200
Reaction Suitability
reaction type: solution phase peptide synthesis
Refractive Index
1.5500
Safety Description
26-36-24/25
Storage Temperature
2-8℃
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
Topological Polar Surface Area
83.6 Ų

Downstream Synthesis Route 1

  • 67-56-1
  • 89-57-6
  • 42753-75-3

Reference: [1] Journal of Organic Chemistry, 2011, vol. 76, # 15, p. 5873 - 5881

Downstream Synthesis Route 2

  • 7664-93-9
  • 89-57-6
  • 42753-75-3

Reference: [1] Patent: US4933330, 1990, A,

Downstream Synthesis Route 3

  • 89-57-6
  • 345-16-4

Reference: [1] Tetrahedron, 1996, vol. 52, # 1, p. 23 - 36
[2] Journal of Fluorine Chemistry, 1991, vol. 51, # 2, p. 299 - 304

Downstream Synthesis Route 4

  • 67-56-1
  • 89-57-6
  • 42753-75-3

Reference: [1]Journal of Organic Chemistry,2011,vol. 76,p. 5873 - 5881

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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