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N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide is a complex organic compound with a unique molecular structure. It is characterized by its 2-fluorobenzamide backbone, which is connected to a 5,7-diazaspiro[3.4]octan-5-yl moiety through a 4-cyano-3-trifluoromethylphenyl linker. N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide exhibits a wide range of potential applications across various industries due to its unique chemical properties.

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  • 4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

    Cas No: 915087-27-3

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  • N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide

    Cas No: 915087-27-3

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  • 915087-27-3 Structure
  • Basic information

    1. Product Name: N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide
    2. Synonyms: N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide;RD 162
    3. CAS NO:915087-27-3
    4. Molecular Formula: C22H16F4N4O2S
    5. Molecular Weight: 476.4466528
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 915087-27-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.55
    6. Refractive Index: N/A
    7. Storage Temp.: -20°C Freezer, Under inert atmosphere
    8. Solubility: Chloroform (Slightly), Methanol (Slightly)
    9. CAS DataBase Reference: N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide(CAS DataBase Reference)
    10. NIST Chemistry Reference: N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide(915087-27-3)
    11. EPA Substance Registry System: N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide(915087-27-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 915087-27-3(Hazardous Substances Data)

915087-27-3 Usage

Uses

Used in Pharmaceutical Industry:
N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide is used as a pharmaceutical compound for the development of new drugs. Its unique molecular structure allows it to target specific biological pathways and receptors, making it a promising candidate for the treatment of various diseases.
Used in Chemical Research:
In the field of chemical research, N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide serves as a valuable research tool. Its complex structure provides insights into the synthesis and properties of similar compounds, contributing to the advancement of organic chemistry.
Used in Material Science:
N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide is used in material science for the development of new materials with unique properties. Its molecular structure can be tailored to create materials with specific characteristics, such as improved stability, reactivity, or selectivity.
Used in Environmental Applications:
In environmental applications, N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide can be employed as a component in the development of eco-friendly products. Its unique chemical properties may contribute to the creation of materials that are biodegradable or have reduced environmental impact.
Used in Analytical Chemistry:
N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide is used in analytical chemistry as a reference compound or as a component in the development of new analytical methods. Its unique structure and properties can be utilized to improve the sensitivity, selectivity, or accuracy of analytical techniques.

Biological Activity

rd162 is an androgen receptor (ar) antagonist.metastatic prostate cancer is treated with drugs antagonizinf androgen action, but most patients progress to a more aggressive form of the disease named castration-resistant prostate cancer, driven by elevated expression of the androgen receptor (ar).

in vitro

rd162 was optimized from a screen for nonsteroidal antiandrogens retaining activity in the setting of increased androgen receptor expression. rd162 could bind to the androgen receptor with greater relative affinity than the clinically used bicalutamide, reduce the efficiency of the nuclear translocation, and impair both dna binding to androgen response elements and recruitment of coactivators [1].

in vivo

previous evidence suggested that the activity of rd162 in these mice was mediated through ar inhibition. the antitumor activity in the lncap/ar model was dose-dependent, with some slowing of tumor growth at 0.1 mg/kg rd162 and a few tumor regressions at 1 mg/kg, correlating closely with the effect of these same doses on ar transcriptional activity in the luciferase imaging experiment. in addition, neither bicalutamide nor rd162 impaired the growth of ar-negative du145 prostate cancer xenografts [1].

IC 50

30.9 nm

references

[1] c. tran, s. ouk, n. j. clegg, et al. development of a second-generation antiandrogen for treatment of advanced prostate cancer. science 324(5928), 787-790(2009).

Check Digit Verification of cas no

The CAS Registry Mumber 915087-27-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,5,0,8 and 7 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 915087-27:
(8*9)+(7*1)+(6*5)+(5*0)+(4*8)+(3*7)+(2*2)+(1*7)=173
173 % 10 = 3
So 915087-27-3 is a valid CAS Registry Number.

915087-27-3SDS

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 4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

1.2 Other means of identification

Product number -
Other names 4-[7-(4-CYANO-3-TRIFLUOROMETHYL-PHENYL)-8-OXO-6-THIOXO-5,7-DIAZA-SPIRO[3.4]OCT-5-YL]-2-FLUORO-N-METHYL-BENZAMIDE

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:915087-27-3 SDS

915087-27-3Downstream Products

915087-27-3Relevant articles and documents

IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES

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, (2014/10/29)

Provided are imidazolidinedione compounds of formula (I), processes for preparation, uses and pharmaceutically compositions thereof. Said imidazolidinedione compounds posses androgen receptor antagonist activity and can be used for preventing and treating diseases and disorders related to androgen receptor, such as prostate cancer, alopecia, hair regeneration, acne and adolescent acne.

DIARYLHYDANTOIN COMPOUNDS

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Page/Page column 73-74, (2008/06/13)

The present invention relates to diarylhydantoin compounds, including diarylthiohydantoins, and methods for syntheszing them and using them in the treatment of hormone refractory prostate cancer.

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