CAS 328933-58-0

4-[1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]phenol

Description:

The chemical substance known as 4-[1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]phenol, with the CAS number 328933-58-0, is a complex organic compound characterized by its multi-ring structure and various functional groups. It features an indole core, which is a bicyclic structure known for its presence in many biologically active compounds. The presence of a hexahydro-1H-azepin moiety suggests potential interactions with biological systems, possibly influencing its pharmacological properties. The compound also contains ether and phenolic groups, which may contribute to its solubility and reactivity. Its intricate structure indicates potential applications in medicinal chemistry, particularly in the development of therapeutic agents. However, specific biological activity, toxicity, and stability would require further investigation through empirical studies. Overall, this compound exemplifies the complexity often found in drug-like molecules, highlighting the importance of structure-activity relationships in pharmaceutical development.

Formula: C₃₇H₄₀N₂O₃

InChI: InChI=1S/C37H40N2O3/c1-28-35-25-34(42-27-30-9-5-4-6-10-30)19-20-36(35)39(37(28)31-13-15-32(40)16-14-31)26-29-11-17-33(18-12-29)41-24-23-38-21-7-2-3-8-22-38/h4-6,9-20,25,40H,2-3,7-8,21-24,26-27H2,1H3

InChI key: InChIKey=QMCBNSZDKAPTTB-UHFFFAOYSA-N

SMILES: C(N1C(=C(C)C=2C1=CC=C(OCC3=CC=CC=C3)C2)C4=CC=C(O)C=C4)C5=CC=C(OCCN6CCCCCC6)C=C5

Synonyms:

• 5-Benzyloxy-2-(4-hydroxyphenyl)-3-methyl-1-[4-(1-azacycloheptan-1-ylethoxy)benzyl]-1H-indole
• 4-[1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]phenol
• Phenol, 4-[1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]-

Bazedoxifene Impurity 4

CAS: 328933-58-0

Formula: C₃₇H₄₀N₂O₃

Color and Shape: Yellow Solid

Molecular weight: 560.74

Ref: 4Z-B-4810

5-O-Benzylbazedoxifene

Controlled Product

CAS: 328933-58-0

Applications 5-O-Benzylbazedoxifene is a metabolite of Bazedoxifene Acetate (B129250), a nonsteroidal selective estrogen receptor modulator (SERM). Bazedoxifene Acetate is used as an antiosteoporotic.
References Rao, K.V., et. al.: J. Chromatogr. Sci., 51, 215 (2013); van Hoorn, W., et al.: J. Med. Chem., 45, 584 (2002); Neubauer, B., et al.: Cancer Res., 63, 6056 (2003); Yan, X., et al.: Biochemistry, 43, 909 (2004)

Formula: C₃₇H₄₀N₂O₃

Color and Shape: Neat

Molecular weight: 560.73

Ref: TR-B230870

Bazedoxifene 5-O-Benzyl Impurity

CAS: 328933-58-0

Formula: C₃₇H₄₀N₂O₃

Molecular weight: 560.73

Ref: ST-EA-CP-B41019