ChemicalBook > Product Catalog >Biochemical Engineering >Biochemical Reagents >Agonist Inhibitors >2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide

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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide Basic information
Product Name:2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide
Synonyms:HC 030031;2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(4-isopropylphenyl)acetamide;1,2,3,6-Tetrahydro-1,3-diMethyl-N-[4-(1-Methylethyl)phenyl]-2,6-dioxo-7H-purine-7-acetaMide;7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-[4-(1-methylethyl)phenyl]-2,6-dioxo-;HC-030031;HC 030031;HC030031;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;HC 030031 1G;TrpA1 Antagonist, HC-030031
CAS:349085-38-7
MF:C18H21N5O3
MW:355.39
EINECS:
Product Categories:Amines;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Inhibitors
Mol File:349085-38-7.mol
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide Structure
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide Chemical Properties
Melting point 221-223°C
density 1.33±0.1 g/cm3(Predicted)
storage temp. room temp
solubility DMSO: soluble10mg/mL, clear
form White solid
pka13.71±0.70(Predicted)
color white to beige
Stability:Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChIInChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
InChIKeyHEQDZPHDVAOBLN-UHFFFAOYSA-N
SMILESN1(CC(NC2=CC=C(C(C)C)C=C2)=O)C2=C(N(C)C(=O)N(C)C2=O)N=C1
Safety Information
Hazard Codes T
Risk Statements 25
Safety Statements 45
RIDADR UN 2811 6.1 / PGIII
WGK Germany 3
Storage Class11 - Combustible Solids
MSDS Information
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide Usage And Synthesis
DescriptionTransient receptor potential cation channel A1 (TRPA1) is an ankyrin-like ion channel which acts as a sensor for chemical irritants, pain, and cold. It is activated by allyl isothiocyanate (AITC), formalin, hydrogen peroxide, tear gas, and other compounds. HC-030031 is a selective TRPA1 blocker, antagonizing TRPA1-mediated calcium influx induced by AITC and formalin (IC50s = 6.2 and 5.3 μM, respectively). It does not block currents mediated by TRPV1, TRPV3, TRPV4 hERG, or NaV1.2 channels. HC-030031 can be used in cells or delivered to animals orally, by inhalation, or by injection. Oral administration (100 mg/kg) of HC-030031 significantly reversed mechanical hypersensitivity in rat models of chronic inflammatory or neuropathic pain, while local injection (100 μg) into inflamed mouse hind paws attenuated mechanical, but not heat, hypersensitivity.
Chemical PropertiesWhite Solid
UsesA TRPA1 (transient receptor potential) selective antagonist, attenuates inflammatory- and neuropathy-induced mechanical hypersensitivity.
Biological ActivitySelective TRPA1 channel blocker that antagonizes AITC- and formalin-evoked calcium influx (IC 50 values are 6.2 and 5.3 μ M respectively). Does not block currents mediated by TRPV1, TRPV3, TRPV4, hERG or Na V 1.2 channels. Inhibits AITC- and formalin-induced flinching in vivo .
Biochem/physiol ActionsHC-030031 is a selective TRPA1 channel blocker, antagonizing formalin-evoked calcium influx and formalin-induced pain. IC50 is 5 μM. TRPA1 antagonism is a promising therapeutic target for chronic inflammatory or neurogenic pain.
storageRoom temperature
References[1] COLLEEN R MCNAMARA. TRPA1 mediates formalin-induced pain.[J]. Proceedings of the National Academy of Sciences of the United States of America, 2007: 13525-13530. DOI:10.1073/pnas.0705924104
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide Preparation Products And Raw materials
Tag:2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide(349085-38-7) Related Product Information
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