1-Methyl Ethynyl Estradiol

• CAT Number: R053276
• CAS Number: 15071-66-6
• Molecular Formula: C21H26O2
• Molecular Weight: 310.437
• Purity: ≥95%
• Synonyms: 1-Methyl-19-nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol; ?17-Ethynyl-1-methylestradiol; NSC 29746; Ethinyl Estradiol Impurity J (EP)
• Storage: Store at -20°C
• IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• InChI: InChI=1S/C21H26O2/c1-4-21(23)10-8-18-16-6-5-14-12-15(22)11-13(2)19(14)17(16)7-9-20(18,21)3/h1,11-12,16-18,22-23H,5-10H2,2-3H3/t16-,17+,18+,20+,21+/m1/s1
• InChIKey: DNVMUVXCXXCYEH-JOTVOLILSA-N
• SMILES: CC1=C2C3CCC4(C(C3CCC2=CC(=C1)O)CCC4(C#C)O)C

1-Methyl ethynyl estradiol is a synthetic derivative of the natural hormone estradiol, featuring a methyl and ethynyl group that enhance its stability and biological activity. This compound is used in pharmaceutical research, particularly in the development of hormone therapies and contraceptives. Its modifications increase oral bioavailability and prolong its half-life in the body, making it more effective than natural estradiol. 1-Methyl ethynyl estradiol is important for studying estrogen receptor interactions and in the design of estrogen-based medications.