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Home Other Building Blocks 1714146-59-4
1714146-59-4,MFCD28952791
Catalog No.:AA00ABPO

1714146-59-4 | I-BRD9

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$14.00   $10.00
- +
5mg
98%
in stock  
$35.00   $25.00
- +
10mg
98%
in stock  
$52.00   $36.00
- +
50mg
98%
in stock  
$145.00   $102.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ABPO
Chemical Name:
I-BRD9
CAS Number:
1714146-59-4
Molecular Formula:
C22H22F3N3O3S2
Molecular Weight:
497.5536
MDL Number:
MFCD28952791
SMILES:
CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1
Properties
Computed Properties
 
Complexity:
915  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.9  

Downstream Synthesis Route
28948-60-9   
N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-ethyl-4-oxo-7-(3-(trifluoromethyl)phenyl)-4,5-dihydrothieno3,2-cpyridine-2-carboximidamide 

[1]JournalofMedicinalChemistry,2016,vol.59,p.1425-1439

[1]Theodoulou,NatalieH.;Bamborough,Paul;Bannister,AndrewJ.;Becher,Isabelle;Bit,RinoA.;Che,KaHing;Chung,Chun-Wa;Dittmann,Antje;Drewes,Gerard;Drewry,DavidH.;Gordon,Laurie;Grandi,Paola;Leveridge,Melanie;Lindon,Matthew;Michon,Anne-Marie;Molnar,Judit;Robson,SamuelC.;Tomkinson,NicholasC.O.;Kouzarides,Tony;Prinjha,RabK.;Humphreys,PhilipG.[JournalofMedicinalChemistry,2016,vol.59,#4,p.1425-1439]

[1]Theodoulou,NatalieH.;Bamborough,Paul;Bannister,AndrewJ.;Becher,Isabelle;Bit,RinoA.;Che,KaHing;Chung,Chun-Wa;Dittmann,Antje;Drewes,Gerard;Drewry,DavidH.;Gordon,Laurie;Grandi,Paola;Leveridge,Melanie;Lindon,Matthew;Michon,Anne-Marie;Molnar,Judit;Robson,SamuelC.;Tomkinson,NicholasC.O.;Kouzarides,Tony;Prinjha,RabK.;Humphreys,PhilipG.[JournalofMedicinalChemistry,2016,vol.59,#4,p.1425-1439]

[1]Theodoulou,NatalieH.;Bamborough,Paul;Bannister,AndrewJ.;Becher,Isabelle;Bit,RinoA.;Che,KaHing;Chung,Chun-Wa;Dittmann,Antje;Drewes,Gerard;Drewry,DavidH.;Gordon,Laurie;Grandi,Paola;Leveridge,Melanie;Lindon,Matthew;Michon,Anne-Marie;Molnar,Judit;Robson,SamuelC.;Tomkinson,NicholasC.O.;Kouzarides,Tony;Prinjha,RabK.;Humphreys,PhilipG.[JournalofMedicinalChemistry,2016,vol.59,#4,p.1425-1439]

[1]Theodoulou,NatalieH.;Bamborough,Paul;Bannister,AndrewJ.;Becher,Isabelle;Bit,RinoA.;Che,KaHing;Chung,Chun-Wa;Dittmann,Antje;Drewes,Gerard;Drewry,DavidH.;Gordon,Laurie;Grandi,Paola;Leveridge,Melanie;Lindon,Matthew;Michon,Anne-Marie;Molnar,Judit;Robson,SamuelC.;Tomkinson,NicholasC.O.;Kouzarides,Tony;Prinjha,RabK.;Humphreys,PhilipG.[JournalofMedicinalChemistry,2016,vol.59,#4,p.1425-1439]

Literature

Title: Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.

Journal: Journal of medicinal chemistry 20160225

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