Bazedoxifene (hydrochloride)

CAT: 0804-HY-A0031ASize: 1 EachDry Ice: NoHazardous: No

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Description

Bazedoxifene hydrochloride (TSE-424 hydrochloride) is an oral active, BBB-penetrant nonsteroidal selective estrogen receptor modulator (SERM), with IC50s of 23 nM and 99 nM for ERα and ERβ, respectively. Bazedoxifene hydrochloride can be used for the research of osteoporosis. Bazedoxifene hydrochloride acts as an inhibitor of IL-6/GP130 protein-protein interactions. Bazedoxifene hydrochloride can be used for the research of pancreatic cancer[1][2].

CAS Number

198480-56-7

Product Name Alternative

TSE-424 (hydrochloride)

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Estrogen Receptor/ERR

Type

Reference compound

Related Pathways

Vitamin D Related/Nuclear Receptor

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/bazedoxifene-hydrochloride.html

Solubility

10 mM in DMSO

Smiles

OC1=CC2=C(N(CC3=CC=C(OCCN4CCCCCC4)C=C3)C(C5=CC=C(O)C=C5)=C2C)C=C1.[H]Cl

Molecular Formula

C30H35ClN2O3

Molecular Weight

507.06

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Barry S Komm, et al. Bazedoxifene acetate: a selective estrogen receptor modulator with improved selectivity. Endocrinology. 2005 Sep;146 (9) :3999-4008.|[2]Xiaojuan Wu, et al. Bazedoxifene as a Novel GP130 Inhibitor for Pancreatic Cancer Therapy. Mol Cancer Ther. 2016 Nov; 15 (11) : 2609–2619.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Bazedoxifene HCl

CAS Number	198480-56-7
PubChem CID	9936012
IUPAC Name	1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;hydrochloride
Molecular Formula	C30H35ClN2O3
Molecular Weight	507.1
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	623

SMILES

CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C30H34N2O3.ClH/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H

InChIKey

COOWZQXURKSOKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 198480-56-7

CID: 9936012

Formula: C30H35ClN2O3

MW: 507.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	506.2336207
Monoisotopic Mass	506.2336207
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	623
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
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HY-A0031R-01	Bazedoxifene (Standard)
HY-A0036-01	Bazedoxifene (acetate)
HY-Z0833-01	Bazedoxifene N-Oxide
HY-Z1046-01	Bazedoxifene impurity 2
HY-A0036B-01	Bazedoxifene (acetate) -B
HY-A0036D-01	Bazedoxifene (acetate) -D
HY-A0031S2	Bazedoxifene-d4 (acetate)
HY-A0036R-01	Bazedoxifene (acetate) (Standard)

Alternative Products

Catalog	Name
T6404-01	Bazedoxifene hydrochloride
CS-BU-00123	Bazedoxifene-d4 Hydrochloride
442168-01	Bazedoxifene
A3233-5	Bazedoxifene acetate
B1519-50	Bazedoxifene HCl

Bazedoxifene (hydrochloride)

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