1,3-Diphenylpyrazole-4-propionic acid

CAS: 108446-77-1

Ref. 3D-FD54166

Product Information

• Name: 1,3-Diphenylpyrazole-4-propionic acid
• Synonyms: 1,3-Diphenyl-1H-pyrazole-4-propanoic acid, 1H-Pyrazole-4-propanoic acid, 1,3-diphenyl-, 3-(1,3-Diphenyl-1H-pyrazol-4-yl)propanoic acid, 3-(1,3-Diphenylpyrazol-4-Yl)Propanoic Acid

Description

1,3-Diphenylpyrazole-4-propionic acid (DPPA) is a molecule that contains a pyrazole ring and a propionic acid. It has anti-fungal properties and is used to treat fungal diseases such as athlete's foot, candidiasis, and tinea versicolor. DPPA inhibits the synthesis of prostaglandins by blocking the enzyme cyclooxygenase. The vibrational modes of DPPA are in the range 0.6-0.7 THz which correspond to molecular electrostatic potential frequencies in the range of 0.5-2 eV. The functional theory predicts the vibrational modes of DPPA to be in this range because it is a small molecule with an asymmetric bond geometry and will have higher energy than larger molecules with symmetric bonds or similar bond geometry. This theory also predicts that DPPA will be able to penetrate cell membranes because it is small enough for hydrogen bonding interactions but not too

• Brand: Biosynth

Chemical properties

• Molecular weight: 292.33 g/mol
• Formula: C₁₈H₁₆N₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C18H16N2O2/c21-17(22)12-11-15-13-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22)
• InChI key: InChIKey=LMHUSEBWZSOLAN-UHFFFAOYSA-N
• SMILES: O=C(O)CCc1cn(-c2ccccc2)nc1-c1ccccc1