11-ent-Mifepristone-5-chloro-3,2’-[1,3]dioxolane

Ref. TR-D450132

Product Information

• Name: 11-ent-Mifepristone-5-chloro-3,2’-[1,3]dioxolane
• Synonyms: (5S,8S,11S,13S,14S,17S)-11-(4-(Dimethylamino)phenyl)-13-methyl-17-(prop-1-yn-1-yl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17-diol, Estra-5(10),9(11)-diene-3,17-dione11-(4-(dimethylamino)phenyl)-17-(prop-1-yn-1-yl) 3-Ethylene Ketal

Description

Applications 11-ent-Mifepristone-5-chloro-3,2’-[1,3]dioxolane is an intermediate in the synthesis of 11-ent-Mifepristone (M343980), which is an enantiomic impurity of Mifepristone (M343975), a progesterone receptor antagonist with partial agonist activity.
References Healy, D.L., et al.: J. Clin. Endocrinol. Metab., 57, 863 (1983), Rauch, M., et al.: Eur. J. Biochem., 148, 213 (1985), Baulieu, E.E., et al.: Science, 245, 1351 (1989), Brogden, R.N., et al.: Drugs, 45, 384 (1993)

• Brand: TRC

Chemical properties

• Molecular weight: 491.661
• Formula: C₃₁H₄₁NO₄
• Color/Form: Off-white solid
• InChI: InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24-,25-,28-,29-,30-/m0/s1
• SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@]4(O)CC5(CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C)OCCO5