Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate

CAS: 83405-70-3

Ref. 3D-FE156692

Product Information

• Name: Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate
• Synonyms: 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester, 3-tert-Butyl-1H-pyrazole-5-carboxylic acid ethyl ester, Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate, Ethyl 5-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate, T5Mnj Cvo2 Ex1&1&1, T5Mnj Cx1&1&1 Evo2, ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate

Description

Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate is a metabolite of the analgesic drug tramadol. It is an inhibitor of the human cytochrome P450 enzyme CYP2D6 and also exhibits affinity for the CB1 and CB2 cannabinoid receptors. The metabolite has been shown to have potent anti-inflammatory activity in vivo, which was mediated by activation of cb2 receptors. However, it has low bioavailability due to its poor absorption from the gut, which can be improved by optimizing its physicochemical properties.

• Brand: Biosynth

Chemical properties

• Molecular weight: 196.25 g/mol
• Formula: C₁₀H₁₆N₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
• InChI key: InChIKey=RCXMILPYEKVQLB-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cc(C(C)(C)C)[nH]n1