Bazedoxifene acetate

Base Information

• Chemical Name: Bazedoxifene acetate
• CAS No.: 198481-33-3
• Molecular Formula: C32H38N2O5
• Molecular Weight: 530.65500
• European Community (EC) Number: 638-804-4
• UNII: J70472UD3D
• DSSTox Substance ID: DTXSID3048657
• Wikidata: Q27281282
• NCI Thesaurus Code: C74212
• RXCUI: 1442171
• ChEMBL ID: CHEMBL2106615
• Mol file: 198481-33-3.mol

Synonyms:bazedoxifene;bazedoxifene acetate;TSE 424;TSE-424;TSE424;WAY-140424

Chemical Property of Bazedoxifene acetate

Chemical Property:

• Vapor Pressure: 6.33E-20mmHg at 25°C
• Melting Point: 174-178°
• Boiling Point: 694.4oC at 760 mmHg
• Flash Point: 373.8oC
• PSA: 95.16000
• LogP: 6.35980
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble15mg/mL, clear
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 530.27807232
• Heavy Atom Count: 39
• Complexity: 654

Purity/Quality:

99%min, ^*data from raw suppliers

Bazedoxifene acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O
• Recent ClinicalTrials: Bazedoxifene Acetate as a Remyelinating Agent in Multiple Sclerosis
• Recent EU Clinical Trials: Open label, monocentric pilot study to evaluate safety and efficacy of Bazedoxifene in addition to Standard of Care in hospitalized COVID-19 patients suffering from moderate to severe Pneumonia
• Recent NIPH Clinical Trials: Administration test of dutasteride, bazedoxifene acetate and testosterone undecanoate preparation to healthy adult males
• Uses: Bazedoxifene Acetate is a nonsteroidal selective estrogen receptor modulator (SERM). Bazedoxifene Acetate is used as an antiosteoporotic. Bazedoxifene acetate has been used to study its efficacy in inhibiting the interleukin-6 (IL-6)/IL-6R/glycoprotein 130 pathway and its effects on medulloblastoma cells.
• Clinical Use: The selective estrogen receptor modulator bazedoxifene acetate was approved in Spain for the treatment of osteoporosis in postmenopausal women. The drug was discovered by Wyeth (now Pfizer) and licensed to Almirall. Clinical trials with bazedoxifene along with conjugated estrogens demonstrated significant improvement in bone mineral density and prevented bone loss in postmenopausal women without osteoporosis. It also reduces fracture risks among women with postmenopausal osteroporosis.

Technology Process of Bazedoxifene acetate

There total 49 articles about Bazedoxifene acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.5%

acetic acid (64-19-7,77671-22-8) + bazedoxifene (198481-32-2) → bazedoxifene acetate (198481-33-3)

Guidance literature:

for 6h; Heating;

Reference yield: 96.7%

acetic acid (64-19-7,77671-22-8) + 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole (198480-21-6) → bazedoxifene acetate (198481-33-3)

Guidance literature:

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole; With hydrogen; In ethanol; ethyl acetate; at 40 ℃; under 2250.23 - 3000.3 Torr;

acetic acid; Temperature; Pressure; Reagent/catalyst; Solvent;

Reference yield: 90.3%

acetic acid (64-19-7,77671-22-8) + 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole (198480-21-6) → bazedoxifene acetate (198481-33-3)

Guidance literature:

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole; With 5%-palladium/activated carbon; hydrogen; In tetrahydrofuran; at 60 ℃; for 8h; under 3040.2 Torr; Large scale;

acetic acid; In water; ethyl acetate; at 20 - 30 ℃; Large scale;

upstream raw materials:

acetic acid

bazedoxifene

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole

(4-hydroxyphenyl)methanol

Downstream raw materials:

bazedoxifene L-lactate