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328956-24-7,MFCD09464870
Catalog No.:AA00C5YH

328956-24-7 | 6-Bromo-3-methyl-3,4-dihydro-2(1h)-quinazolinone

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1g
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$245.00   $172.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C5YH
Chemical Name:
6-Bromo-3-methyl-3,4-dihydro-2(1h)-quinazolinone
CAS Number:
328956-24-7
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
MDL Number:
MFCD09464870
SMILES:
Brc1ccc2c(c1)CN(C(=O)N2)C
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Fish,PaulV.;Filippakopoulos,Panagis;Bish,Gerwyn;Brennan,PaulE.;Bunnage,MarkE.;Cook,AndrewS.;Federov,Oleg;Gerstenberger,BrianS.;Jones,Hannah;Knapp,Stefan;Marsden,Brian;Nocka,Karl;Owen,DafyddR.;Philpott,Martin;Picaud,Sarah;Primiano,MichaelJ.;Ralph,MichaelJ.;Sciammetta,Nunzio;Trzupek,JohnD.[JournalofMedicinalChemistry,2012,vol.55,#22,p.9831-9837]

[2]CurrentPatentAssignee:PFIZERINC-WO2013/27168,2013,A1Locationinpatent:Page/Pagecolumn47

[1]CurrentPatentAssignee:PFIZERINC-WO2013/27168,2013,A1Locationinpatent:Page/Pagecolumn46-47

[2]Fish,PaulV.;Filippakopoulos,Panagis;Bish,Gerwyn;Brennan,PaulE.;Bunnage,MarkE.;Cook,AndrewS.;Federov,Oleg;Gerstenberger,BrianS.;Jones,Hannah;Knapp,Stefan;Marsden,Brian;Nocka,Karl;Owen,DafyddR.;Philpott,Martin;Picaud,Sarah;Primiano,MichaelJ.;Ralph,MichaelJ.;Sciammetta,Nunzio;Trzupek,JohnD.[JournalofMedicinalChemistry,2012,vol.55,#22,p.9831-9837]

1085526-16-4    328956-24-7   
rac-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine 
 
rac-N-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine 

[1]Altenburg,Bianca;Frings,Marcus;Schöbel,Jan-Hendrik;Goßen,Jonas;Pannen,Kristina;Vanderliek,Kim;Rossetti,Giulia;Koschmieder,Steffen;Chatain,Nicolas;Bolm,Carsten[ACSMedicinalChemistryLetters,2020,vol.11,#10,p.1928-1934]

1085526-16-4    328956-24-7   
(+)-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine 
 
(-)-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine 

[1]Altenburg,Bianca;Frings,Marcus;Schöbel,Jan-Hendrik;Goßen,Jonas;Pannen,Kristina;Vanderliek,Kim;Rossetti,Giulia;Koschmieder,Steffen;Chatain,Nicolas;Bolm,Carsten[ACSMedicinalChemistryLetters,2020,vol.11,#10,p.1928-1934]

Literature

Title: Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.

Journal: Journal of medicinal chemistry 20121126

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SDS
Tags:328956-24-7 Molecular Formula|328956-24-7 MDL|328956-24-7 SMILES|328956-24-7 6-Bromo-3-methyl-3,4-dihydro-2(1h)-quinazolinone