Estrone glucuronide

Base Information

Chemical Name:Estrone glucuronide
CAS No.:2479-90-5
Deprecated CAS:26610-40-2,30137-08-7
Molecular Formula:C24H30 O8
Molecular Weight:446.497
Hs Code.:2938909090
UNII:933Q277TO2
DSSTox Substance ID:DTXSID20891497
Nikkaji Number:J468.255F
Wikipedia:Estrone_glucuronide
Wikidata:Q27271553
Metabolomics Workbench ID:36909
ChEMBL ID:CHEMBL1232444
Mol file:2479-90-5.mol

Synonyms:estrone-3-glucosiduronate;estrone-3-glucuronide

Suppliers and Price of Estrone glucuronide

Supply Marketing:

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

American Custom Chemicals Corporation
1,3,5(10)-ESTRATRIEN-3-OL-17-ONE GLUCOSIDURONATE 95.00%
100MG
$ 1334.03

American Custom Chemicals Corporation
1,3,5(10)-ESTRATRIEN-3-OL-17-ONE GLUCOSIDURONATE 95.00%
10MG
$ 727.65

Total 16 raw suppliers

Chemical Property of Estrone glucuronide

Chemical Property:

Vapor Pressure:8.67E-21mmHg at 25°C
Boiling Point:703.8°Cat760mmHg
PKA:2.80±0.70(Predicted)
Flash Point:242.9°C
PSA：133.52000
Density:1.419g/cm³
LogP:1.38280
XLogP3:1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:446.19406791
Heavy Atom Count:32
Complexity:756

Purity/Quality:

99% ^*data from raw suppliers

1,3,5(10)-ESTRATRIEN-3-OL-17-ONE GLUCOSIDURONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Uses A metabolite of 17 -Estradiol Estrone β-D-Glucuronide is a metabolite of 17β -Estradiol (E888000), the major estrogen (1) secreted by the premenopausal ovary (2).

Technology Process of Estrone glucuronide

There total 5 articles about Estrone glucuronide 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: 94.0%

: 27537-72-0
methyl {(17-oxo-1,3,5[10]-estratrien-3-yl)-2,3,4-tri-O-acetyl-β-D-glucopyranosid}uronate

: 2479-90-5,26610-40-2,30137-08-7
Estrone O₃-glucuronide

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃;
DOI:10.1080/07328309908544025

Reference yield:

: 777038-38-7
α-D-glucuronyl fluoride

: 53-16-7
Estrone

: 2479-90-5,26610-40-2,30137-08-7
Estrone O₃-glucuronide

Guidance literature:: With Escherichia coli β-glucuronidase E504G mutant; In aq. phosphate buffer; tert-butyl alcohol; at 37 ℃; for 48h; pH=7.5; Enzymatic reaction;
DOI:10.1039/c4ob00984c

Reference yield:

: 53-16-7
Estrone

: 2479-90-5,26610-40-2,30137-08-7
Estrone O₃-glucuronide

Guidance literature:: Multi-step reaction with 2 steps

1: 42 percent / boron trifluoride diethyl etherate / CH₂Cl₂ / 20 °C

2: 94 percent / sodium hydroxide / methanol / 20 °C

With sodium hydroxide; boron trifluoride diethyl etherate; In methanol; dichloromethane; 1: glucuronidation / 2: Hydrolysis;
DOI:10.1080/07328309908544025