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Home Fluorides 956104-40-8
956104-40-8,MFCD22380626
Catalog No.:AA00IJ5V

956104-40-8 | 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%
in stock  
$6.00   $4.00
- +
25mg
95%
in stock  
$16.00   $12.00
- +
100mg
98%
in stock  
$24.00   $17.00
- +
250mg
95%
in stock  
$56.00   $39.00
- +
1g
98%
in stock  
$105.00   $74.00
- +
5g
98%
in stock  
$363.00   $254.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IJ5V
Chemical Name:
4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide
CAS Number:
956104-40-8
Molecular Formula:
C21H15F4N5O2S
Molecular Weight:
477.4347
MDL Number:
MFCD22380626
SMILES:
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N
Properties
Computed Properties
 
Complexity:
886  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]Patent:WO2008/119015,2008,A2.Locationinpatent:Page/Pagecolumn54

[2]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2803-2806

[3]Patent:WO2008/119015,2008,A2.Locationinpatent:Page/Pagecolumn53

[4]Patent:US2016/152592,2016,A1.Locationinpatent:Paragraph0073;0088;0089

[5]Patent:WO2018/112001,2018,A1.Locationinpatent:Paragraph0151

[1]Patent:WO2011/103202,2011,A2.Locationinpatent:Page/Pagecolumn204;205

[1]Patent:WO2016/100645,2016,A1

[2]Patent:WO2016/100645,2016,A1

[3]Patent:WO2016/100645,2016,A1

[4]Patent:WO2016/100645,2016,A1

[5]Patent:WO2016/100645,2016,A1

[6]Patent:US2016/152592,2016,A1

[7]Patent:JP2016/11315,2016,A

[8]Patent:US9388159,2016,B2

[9]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2803-2806

[10]Patent:WO2008/119015,2008,A2

[1]Patent:US2016/152592,2016,A1

[2]Patent:US9388159,2016,B2

[3]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2803-2806

[4]Patent:US2019/276424,2019,A1

[5]Patent:US2019/276424,2019,A1

[6]Patent:US2019/276424,2019,A1

Literature

Title: Apalutamide Treatment and Metastasis-free Survival in Prostate Cancer.

Journal: The New England journal of medicine 20180412

Title: Changing paradigms in management of metastatic Castration Resistant Prostate Cancer (mCRPC).

Journal: BMC urology 20140101

Title: Phase I study of ARN-509, a novel antiandrogen, in the treatment of castration-resistant prostate cancer.

Journal: Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20131001

Title: The evolving paradigm of second-line hormonal therapy options for castration-resistant prostate cancer.

Journal: Current opinion in oncology 20120501

Title: ARN-509: a novel antiandrogen for prostate cancer treatment.

Journal: Cancer research 20120315

Title: Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC).

Journal: Journal of medicinal chemistry 20100408

Title: Clegg NJ, et al. ARN-509: a novel antiandrogen for prostate cancer treatment. Cancer Res. 2012 Mar 15;72(6):1494-503.

Title: Smith MR, et al. Phase 2 Study of the Safety and Antitumor Activity of Apalutamide (ARN-509), a Potent Androgen Receptor Antagonist, in the High-risk Nonmetastatic Castration-resistant Prostate Cancer Cohort. Eur Urol. 2016 May 6. pii: S0302-2838(16)30133

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SDS
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Tags:956104-40-8 Molecular Formula|956104-40-8 MDL|956104-40-8 SMILES|956104-40-8 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide