Prinaberel

Base Information Edit

Chemical Name:Prinaberel
CAS No.:524684-52-4
Molecular Formula:C15H10FNO3
Molecular Weight:271.248
Hs Code.:
European Community (EC) Number:694-745-4
UNII:A9C8MNF7CA
DSSTox Substance ID:DTXSID301030354
Nikkaji Number:J2.117.258H
Wikipedia:Prinaberel
Wikidata:Q7243719
NCI Thesaurus Code:C76959
Pharos Ligand ID:HWFU1F64A2JK
Metabolomics Workbench ID:150021
ChEMBL ID:CHEMBL450940
Mol file:524684-52-4.mol

Synonyms:ERB 041;ERB-041;ERB041

Suppliers and Price of Prinaberel

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
ERB 041
10mg
$ 446.00

TRC
ERB041
5mg
$ 90.00

Tocris
ERB041 ≥98%(HPLC)
50
$ 880.00

Tocris
ERB041 ≥98%(HPLC)
10
$ 219.00

Sigma-Aldrich
ERB-041 ≥98% (HPLC)
5mg
$ 122.00

Sigma-Aldrich
ERB-041 ≥98% (HPLC)
25mg
$ 458.00

Medical Isotopes, Inc.
ERB041
100 mg
$ 2120.00

DC Chemicals
Prinaberel >98%
250 mg
$ 1100.00

Crysdot
Prinaberel 98+%
50mg
$ 613.00

ChemScene
Prinaberel 98.62%
50mg
$ 648.00

Total 15 raw suppliers

Chemical Property of Prinaberel Edit

Chemical Property:

Melting Point:250-252 oC
Boiling Point:379.9 °C at 760 mmHg
PKA:7.50±0.20(Predicted)
Flash Point:183.6 °C
PSA：66.49000
Density:1.413g/cm³
LogP:3.68810
Storage Temp.:room temp
Solubility.:DMSO: ≥25mg/mL
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:271.06447134
Heavy Atom Count:20
Complexity:367

Purity/Quality:

98%min ^*data from raw suppliers

ERB 041 ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC1=C2C(=CC(=C1)O)N=C(O2)C3=CC(=C(C=C3)O)F
Recent ClinicalTrials:Study Evaluating Orally Administered ERB-041 in Subjects With Active Interstitial Cystitis
Recent EU Clinical Trials:A DOUBLE-BLIND, RANDOMIZED, PLACEBO-CONTROLLED STUDY TO EVALUATE THE SAFETY AND EFFICACY OF 75 MG AND 150 MG DOSES OF ERB-041 ON THE REDUCTION OF SYMPTOMS ASSOCIATED WITH ENDOMETRIOSIS DURING TREATMENT AND POST TREATMENT IN REPRODUCTIVE-AGED WOMEN
Uses ERB 041 is a potent ERβ agonist; displays >200-fold selectivity for ERβ over ERα (IC50 values are 5 and 1216 nM for human ERβ and ERα; 3.1 and 620 nM for rat ERβ and ERα; and 3.7 and 750 nM for mouse ERβ and ERα respectively). Prinaberel is a potent ERβ agonist; displays >200-fold selectivity for ERβ over ERα (IC50 values are 5 and 1216 nM for human ERβ and ERα; 3.1 and 620 nM for rat ERβ and ERα; and 3.7 and 750 nM for mouse ERβ and ERα respectively).

Technology Process of Prinaberel

There total 14 articles about Prinaberel 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: 87.0%

: 524684-52-4
prinaberel

Guidance literature:: With pyrographite; In n-heptane; ethyl acetate; at 0 - 80 ℃; under 760.051 Torr; Purification / work up;

Reference yield: 81.0%

: 544704-81-6
5-{[tert-butyl(dimethyl)silyl]oxy}-2-(4-{[tert-butyl(dimethyl)silyl]oxy}-3-fluorophenyl)-7-vinyl-1,3-benzoxazole

: 524684-52-4
prinaberel

Guidance literature:: With hydrogen fluoride; In tetrahydrofuran; water; acetonitrile; at 65 ℃; for 8h; Product distribution / selectivity;

Reference yield: 72.0%

: 7486-35-3
tri-n-butyl(vinyl)tin

: 544704-73-6
7-bromo-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

: 524684-52-4
prinaberel

Guidance literature:: With dichlorobis(tri-O-tolylphosphine)palladium; In monoethylene glycol diethyl ether; at 115 ℃; for 48h;
DOI:10.1021/jm049719y