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Actarit

CAT: 0804-HY-76938-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-76938-01Size:100 mg
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Description
Actarit (4-Acetylaminophenylacetic acid) is an orally active Carbonic Anhydrase II (CAII) inhibitor with an IC50 of 422 nM. Actarit shows suppressive effects experimental autoimmune encephalomyelitis in rats. Actarit inhibits the development of type ll collagen (CII) -induced arthritis in mice by suppressing delayed-type hypersensitivity to CII. Actarit can be used for the study of Multiple Sclerosis (MS) and rheumatoid arthritis[1][2][3][4].
CAS Number
18699-02-0
Product Name Alternative
4-Acetylaminophenylacetic acid; MS-932
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Carbonic Anhydrase; IFNAR; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/actarit.html
Concentration
10mM
Purity
99.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C)NC(C=C1)=CC=C1CC(O)=O
Molecular Formula
C10H11NO3
Molecular Weight
193.20
Precautions
H302, H315, H319, H335
References & Citations
[1]Kawai K, et al. Suppressive effects of 4-acetylaminophenylacetic acid (actarit) on experimental autoimmune encephalomyelitis in rats. Immunopharmacology. 1998 May;39 (2) :127-38. |[2]Fujisawa H, et al. Effect of actarit on type II collagen-induced arthritis in mice. Arzneimittel-forschung, 01 Jan 1994, 44 (1) :64-68. |[3]Ghislat G, et al. Identification and Validation of Carbonic Anhydrase II as the First Target of the Anti-Inflammatory Drug Actarit. Biomolecules. 2020 Nov 19;10 (11) :1570. |[4]Fujisawa H, et al. Suppressive effect of actarit on IgA production in mice: activation of CD4+ suppressor T-cells in Peyer's patches. Int J Immunopharmacol. 1995 Jul;17 (7) :611-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Actarit

Actarit is an anilide and a member of acetamides.

CAS Number18699-02-0
PubChem CID2018
IUPAC Name2-(4-acetamidophenyl)acetic acid
Molecular FormulaC10H11NO3
Molecular Weight193.20
XLogP0.8
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
CC(=O)NC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey
MROJXXOCABQVEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Actarit
CAS: 18699-02-0
CID: 2018
Formula: C10H11NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass193.07389321
Monoisotopic Mass193.07389321
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
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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