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BAZEDOXIFENE ACETATE structure, CAS 198481-33-3

BAZEDOXIFENE ACETATE

CAS Number198481-33-3

Synonyms1-{4-[2-(Azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate (1:1); 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate (1:1); Bazedoxifene Acetate; acetic acid,1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol; Bazedoxifene (acetate)

Molecular FormulaC32H38N2O5

Molecular Weight530.654

Purity

Density

Boiling Point694.4ºC at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Cat. No.: 2A-9092731 Purity:
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Chemical & Physical Properties
CAS Number198481-33-3
Catalog No.2A-9092731
Chinese Name醋酸巴多昔芬
Synonyms1-{4-[2-(Azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate (1:1); 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate (1:1); Bazedoxifene Acetate; acetic acid,1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol; Bazedoxifene (acetate)
Molecular FormulaC32H38N2O5
Molecular Weight530.654
Boiling Point694.4ºC at 760 mmHg
Storage Conditionroom temperature, dry
ApplicationBazedoxifene acetate is a third-generation selective estrogen receptor modulator (SERM) with IC50s of 26 and 99 nM, respectively.
PubChem ID10252038
SMILESCC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIInChI=1S/C30H34N2O3.C2H4O2/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;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)
InChI KeyOMZAMQFQZMUNTP-UHFFFAOYSA-N
Hazard Symbolstransportation
BioactivityBazedoxifene acetate is a third generation selective estrogen receptor modulator (SERM) with IC50s of 26 and 99 nM for ERα and ERβ, respectively. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Target IC50: 26 nM (ERα), 99 nM (ERβ)[1] References [1]. Jaime Kulak, et al. Treatment with Bazedoxifene, a Selective Estrogen Receptor Modulator, Causes Regression of Endometriosis in a Mouse Model. Endocrinology. 2011; 152(8): 3226-3232. [2]. Hisaya Kawate, Ryoichi Takayanagi. Efficacy and safety of bazedoxifene for postmenopausal osteoporosis. Clin Interv Aging. 2011; 6: 151-160. [3]. Stefano Lello, et al. Bazedoxifene: literature data and clinical evidence. Clin Cases Miner Bone Metab. 2011; 8(3): 29-32. [4]. Joan S. Lewis-Wambi, Helen Kim, Ramona Curpan, et al. The Selective Estrogen Receptor Modulator Bazedoxifene Inhibits Hormone-Independent Breast Cancer Cell Growth and Down-Regulates Estrogen Receptor α and Cyclin D1. Mol Pharmacol. 2011 ; 80(4): 610-620. [5]. Diane M Biskobing. Update on bazedoxifene: A novel selective estrogen receptor modulator. Clin Interv Aging. 2007; 2(3): 299-303. Chemical & Physical Properties Boiling Point 694.4ºC at 760 mmHg Molecular Formula C32H38N2O5 Molecular Weight 530.654 Flash Point 373.8ºC Exact Mass 530.278076 PSA 95.16000 LogP 6.35980 Vapour Pressure 6.33E-20mmHg at 25°C InChIKey OMZAMQFQZMUNTP-UHFFFAOYSA-N SMILES CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Use ofBazedoxifene acetate is a third generation selective estrogen receptor modulator (SERM) with IC50s of 26 and 99 nM for ERα and ERβ, respectively. Properties Name Bazedoxifene acetate Synonym More Synonyms Bazedoxifene Acetate Biological Activity Description Bazedoxifene acetate is a third generation selective estrogen receptor modulator (SERM) with IC50s of 26 and 99 nM for ERα and ERβ, respectively. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer IC50: 26 nM (ERα), 99 nM (ERβ)[1] References [1]. Jaime Kulak, et al. Treatment with Bazedoxifene, a Selective Estrogen Receptor Modulator, Causes Regression of Endometriosis in a Mouse Model. Endocrinology. 2011; 152(8): 3226-3232. [2]. Hisaya Kawate, Ryoichi Takayanagi. Efficacy and safety of bazedoxifene for postmenopausal osteoporosis. Clin Interv Aging. 2011; 6: 151-160. [3]. Stefano Lello, et al. Bazedoxifene: literature data and clinical evidence. Clin Cases Miner Bone Metab. 2011; 8(3): 29-32. [4]. Joan S. Lewis-Wambi, Helen Kim, Ramona Curpan, et al. The Selective Estrogen Receptor Modulator Bazedoxifene Inhibits Hormone-Independent Breast Cancer Cell Growth and Down-Regulates Estrogen Receptor α and Cyclin D1. Mol Pharmacol. 2011 ; 80(4): 610-620. [5]. Diane M Biskobing. Update on bazedoxifene: A novel selective estrogen receptor modulator. Clin Interv Aging. 2007; 2(3): 299-303. Chemical & Physical Properties Molecular Formula C32H38N2O5 Exact Mass 530.278076 PSA 95.16000 LogP 6.35980 InChIKey OMZAMQFQZMUNTP-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip.
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