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126411-39-0

SR 12813 is a synthetic organic compound that functions as a pregnane X receptor (PXR, NR 112) agonist. It is characterized as the tetraethyl ester of [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonic acid), which contributes to its unique chemical properties and potential applications in various fields.

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  • 126411-39-0 Structure

  • Basic information

    1. Product Name: SR 12813
    2. Synonyms: [[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-phosphonicacidtetraethylester
    3. CAS NO:126411-39-0
    4. Molecular Formula: C24H42O7P2
    5. Molecular Weight: 504.537
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 126411-39-0.mol

  • Chemical Properties

    1. Melting Point: 119-121℃
    2. Boiling Point: 552.6°Cat760mmHg
    3. Flash Point: 288°C
    4. Appearance: /solid
    5. Density: 1.117g/cm3
    6. Vapor Pressure: 8.02E-13mmHg at 25°C
    7. Refractive Index: 1.504
    8. Storage Temp.: Store at +4°C
    9. Solubility: DMSO: ≥10 mg/mL
    10. CAS DataBase Reference: SR 12813(CAS DataBase Reference)
    11. NIST Chemistry Reference: SR 12813(126411-39-0)
    12. EPA Substance Registry System: SR 12813(126411-39-0)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 126411-39-0(Hazardous Substances Data)

126411-39-0 Usage

Uses

Used in Pharmaceutical Industry:
SR 12813 is used as a pharmaceutical agent for its agonistic effect on the pregnane X receptor. This makes it a candidate for research and development in the context of drug metabolism and potential therapeutic applications related to PXR modulation.
Used in Research Applications:
In the field of scientific research, SR 12813 serves as a valuable tool for studying the role of PXR in cellular processes. Its agonistic properties allow researchers to investigate the mechanisms of PXR activation and its implications in various biological pathways.
Used in Drug Metabolism Studies:
SR 12813 is utilized in studies focused on drug metabolism, as PXR plays a crucial role in the regulation of genes involved in the metabolism of drugs and other xenobiotics. Understanding the effects of SR 12813 on PXR can provide insights into the development of drugs with improved metabolic profiles.
Used in Toxicology and Safety Assessment:
Due to its interaction with PXR, SR 12813 can be employed in toxicology studies to evaluate the potential impact of PXR modulation on the body's response to toxins and the safety of new drug candidates.

Biological Activity

Pregnane X receptor (PXR) agonist (EC 50 values are 200 and 700 nM for human and rabbit PXR respectively). Activates the farnesoid X receptor (FXR) at μ M concentrations. Displays hypocholesterolaemic activity via enchanced degradation of HMG-CoA reductase.

Biochem/physiol Actions

SR-12813 is a 1,1-bisphosphonate ester that exhibits hypocholesterolemic activity. It decreases the biosynthesis of cholesterol by enhancing the degradation of HMG-CoA reductase.

Check Digit Verification of cas no

The CAS Registry Mumber 126411-39-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,4,1 and 1 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 126411-39:
(8*1)+(7*2)+(6*6)+(5*4)+(4*1)+(3*1)+(2*3)+(1*9)=100
100 % 10 = 0
So 126411-39-0 is a valid CAS Registry Number.
InChI:InChI=1/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3

126411-39-0 Well-known Company Product Price

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  • Sigma

  • (S4194)  SR 12813  ≥98%, solid

  • 126411-39-0

  • S4194-1MG

  • 444.60CNY

  • Detail

  • Sigma

  • (S4194)  SR 12813  ≥98%, solid

  • 126411-39-0

  • S4194-5MG

  • 1,512.81CNY

  • Detail

126411-39-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name SR12813

1.2 Other means of identification

Product number -
Other names Tetraethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethenyl-1,1-bisphosphonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:126411-39-0 SDS

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