Raloxifene 4'-Glucuronide

Base Information

Chemical Name:Raloxifene 4'-Glucuronide
CAS No.:182507-22-8
Molecular Formula:C₃₄H₃₅NO₁₀S
Molecular Weight:649.719
Hs Code.:29389090
UNII:UZ95WFT3LZ
DSSTox Substance ID:DTXSID601312492
Nikkaji Number:J1.215.011C
Wikidata:Q27291346
ChEMBL ID:CHEMBL176790
Mol file:182507-22-8.mol

Synonyms:Raloxifene 4'-Glucuronide;182507-22-8;Raloxifene-4-glucuronide;UNII-UZ95WFT3LZ;UZ95WFT3LZ;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid;beta-D-Glucopyranosiduronic acid, 4-(6-hydroxy-3-(4-(2-(1-piperidinyl)ethoxy)benzoyl)benzo(b)thien-2-yl)phenyl;beta-D-Glucopyranosiduronic acid, 4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl;CHEMBL176790;DTXSID601312492;AKOS040736548;HY-135582;CS-0113549;Q27291346;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)benzo[b]thiophen-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(6-HYDROXY-3-(4-(2-(1-PIPERIDINYL)ETHOXY)BENZOYL)BENZO(B)THIEN-2-YL)PHENYL

Suppliers and Price of Raloxifene 4'-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

TRC
Raloxifene-d44’-Glucuronide
0.5mg
$ 250.00

TRC
Raloxifene4’-Glucuronide
1mg
$ 205.00

TRC
Raloxifene4’-Glucuronide
2mg
$ 375.00

TRC
Raloxifene-d44’-Glucuronide
5mg
$ 1980.00

TRC
Raloxifene4’-Glucuronide
10mg
$ 1620.00

TRC
Raloxifene4’-Glucuronide
5mg
$ 925.00

Medical Isotopes, Inc.
Raloxifene-4?-glucuronide
5 mg
$ 890.00

Medical Isotopes, Inc.
Raloxifene-4?-glucuronide
1 mg
$ 290.00

Cayman Chemical
Raloxifene 4'-Glucuronide
1mg
$ 325.00

Biosynth Carbosynth
Raloxifene 4'-D-glucuronide
1 mg
$ 350.00

Total 14 raw suppliers

Chemical Property of Raloxifene 4'-Glucuronide

Chemical Property:

Melting Point:209-213°C
Refractive Index:1.682
Boiling Point:949.6±65.0 °C(Predicted)
PKA:2.76±0.70(Predicted)
PSA：194.46000
Density:1.444±0.06 g/cm3(Predicted)
LogP:3.57850
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:649.19816749
Heavy Atom Count:46
Complexity:1010

Purity/Quality:

98%min ^*data from raw suppliers

Raloxifene-d44’-Glucuronide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O
Isomeric SMILES:C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
Uses Raloxifene 4'-glucuronide can be used as a metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist A labelled metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist Raloxifene 4'-glucuronide can be intended for use as an internal standard for the quantification of Raloxifene by GC- or LC-mass spectrometry.

Technology Process of Raloxifene 4'-Glucuronide

There total 4 articles about Raloxifene 4'-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:

: (2S,3S,4S,5R,6S)-6-(4-{6-(tert-Butyl-dimethyl-silanyloxy)-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-2-yl}-phenoxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid

: 182507-22-8
Raloxifene-4'-beta-glucuronide

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; Yield given;
DOI:10.1016/S0960-894X(97)00142-X

Reference yield:

: 84449-90-1
Raloxifen

: 182507-22-8
Raloxifene-4'-beta-glucuronide

Guidance literature:: Multi-step reaction with 4 steps

1: DMAP / dimethylformamide; tetrahydrofuran

2: 23 percent / BF₃*OEt₃ / CH₂Cl₂

3: LiOH / dioxane / 60 °C

4: tetrabutylammonium fluoride / tetrahydrofuran

With dmap; lithium hydroxide; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; In tetrahydrofuran; 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(97)00142-X

Reference yield:

: 174264-47-2
(6-((tert-butyldimethylsilyl)oxy)-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone

: 182507-22-8
Raloxifene-4'-beta-glucuronide

Guidance literature:: Multi-step reaction with 3 steps

1: 23 percent / BF₃*OEt₃ / CH₂Cl₂

2: LiOH / dioxane / 60 °C

3: tetrabutylammonium fluoride / tetrahydrofuran

With lithium hydroxide; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; In tetrahydrofuran; 1,4-dioxane; dichloromethane;
DOI:10.1016/S0960-894X(97)00142-X