2-Methyl-4-oxo-4-phenylbutyric acid

CAS: 1771-65-9

Ref. 3D-FM05057

Product Information

• Name: 2-Methyl-4-oxo-4-phenylbutyric acid
• Brand: Biosynth
• Description: 2-Methyl-4-oxo-4-phenylbutyric acid (or 2MO4PBA) is a potent, stereoselective, and endogenous agonist of the nuclear receptors ERβ and ERα. It has been shown to have therapeutic potential in the treatment of estrogen deficiency and metabolic disorders. This compound binds to the DNA response element at positions DR1, DR2, DR3, DR4, and DR5 of the human estrogen receptor. The binding affinity at these sites is around 10 times lower than that of estradiol. 2MO4PBA is metabolized by esterases in vivo to 2-methyl-3-oxobutyric acid (2MO3BA). The metabolic conversion from 2MO4PBA to 2MO3BA is stereoselective with respect to configuration at C2. 2MO3BA binds to ERβ but not ERα. Functional assays demonstrate that this compound is a potent agonist

Chemical properties

• Molecular weight: 192.21 g/mol
• Formula: C₁₁H₁₂O₃
• Purity: Min. 98 Area-%
• Color/Form: Powder
• InChI: InChI=1S/C11H12O3/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)
• InChI key: InChIKey=ICXWGAZLLKCSAT-UHFFFAOYSA-N
• SMILES: CC(CC(=O)c1ccccc1)C(=O)O