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1639042-08-2,MFCD28902195
Catalog No.:AA001UGI

1639042-08-2 | AZD9496

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$15.00   $11.00
- +
5mg
98+%
in stock  
$37.00   $26.00
- +
10mg
98+%
in stock  
$56.00   $39.00
- +
25mg
98+%
in stock  
$94.00   $66.00
- +
50mg
98+%
in stock  
$159.00   $111.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001UGI
Chemical Name:
AZD9496
CAS Number:
1639042-08-2
Molecular Formula:
C25H25F3N2O2
Molecular Weight:
442.4734
MDL Number:
MFCD28902195
SMILES:
OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1
Properties
Computed Properties
 
Complexity:
705  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2014/357661,2014,A1Locationinpatent:Paragraph0406-0409

[2]DeSavi,Chris;Bradbury,RobertH.;Rabow,AlfredA.;Norman,RichardA.;DeAlmeida,Camila;Andrews,DavidM.;Ballard,Peter;Buttar,David;Callis,RowenaJ.;Currie,GordonS.;Curwen,JonO.;Davies,ChrisD.;Donald,CraigS.;Feron,LymanJ.L.;Gingell,Helen;Glossop,StevenC.;Hayter,BarryR.;Hussain,Syeed;Karoutchi,Galith;Lamont,ScottG.;MacFaul,Philip;Moss,ThomasA.;Pearson,StuartE.;Tonge,Michael;Walker,GraemeE.;Weir,HazelM.;Wilson,Zena[JournalofMedicinalChemistry,2015,vol.58,#20,p.8128-8140]

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2018/65501,2018,A1Locationinpatent:Page/Pagecolumn38;122

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2014/357661,2014,A1Locationinpatent:Paragraph0536-0538

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2014/357661,2014,A1Locationinpatent:Paragraph0538-0540

CASUnavailable 
  1639042-08-2 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2014/357661,2014,A1

[2]DeSavi,Chris;Bradbury,RobertH.;Rabow,AlfredA.;Norman,RichardA.;DeAlmeida,Camila;Andrews,DavidM.;Ballard,Peter;Buttar,David;Callis,RowenaJ.;Currie,GordonS.;Curwen,JonO.;Davies,ChrisD.;Donald,CraigS.;Feron,LymanJ.L.;Gingell,Helen;Glossop,StevenC.;Hayter,BarryR.;Hussain,Syeed;Karoutchi,Galith;Lamont,ScottG.;MacFaul,Philip;Moss,ThomasA.;Pearson,StuartE.;Tonge,Michael;Walker,GraemeE.;Weir,HazelM.;Wilson,Zena[JournalofMedicinalChemistry,2015,vol.58,#20,p.8128-8140]

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2014/357661,2014,A1

Literature

Title: Weir HM, et al. AZD9496: An Oral Estrogen Receptor Inhibitor That Blocks the Growth of ER-Positive and ESR1-Mutant Breast Tumors in Preclinical Models. Cancer Res. 2016 Jun 1;76(11):3307-18.

Title: De Savi C, et al. Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido,4-bindol-1-yl)phenyl)acrylic Acid (AZD9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J Med Chem. 2015 Oct 22;58(20):8128-40.

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SDS
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