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1403764-72-6,MFCD22580416
Catalog No.:AA009CBG

1403764-72-6 | Pfi-1

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Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$13.00   $9.00
- +
5mg
98%
in stock  
$29.00   $21.00
- +
10mg
98%
in stock  
$44.00   $31.00
- +
50mg
98%
in stock  
$113.00   $79.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CBG
Chemical Name:
Pfi-1
CAS Number:
1403764-72-6
Molecular Formula:
C16H17N3O4S
Molecular Weight:
347.3889
MDL Number:
MFCD22580416
SMILES:
COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C
Properties
Computed Properties
 
Complexity:
562  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.2  

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,A1

10130-87-7   
6-amino-3-methyl-3,4-dihydroquinazolin-2(1H)-one 
  1403764-72-6 

[1]JournalofMedicinalChemistry,2012,vol.55,p.9831-9837

[1]CurrentPatentAssignee:PFIZERINC-WO2013/27168,2013,A1

[1]Patent:WO2013/27168,2013,A1.Locationinpatent:Page/Pagecolumn55

Literature

Title: BRD4 is a novel therapeutic target for liver fibrosis.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20151222

Title: Brd4 is essential for IL-1β-induced inflammation in human airway epithelial cells.

Journal: PloS one 20140101

Title: Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.

Journal: Journal of medicinal chemistry 20130425

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

Title: Picaud S, et al. PFI-1, a Highly Selective Protein Interaction Inhibitor, Targeting BET Bromodomains. Cancer Res. 2013 May 21. [Epub ahead of print

Title: Fish PV, et al. Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J Med Chem. 2012 Nov 26;55(22):9831-7.

Title: Cheng Z, et al. Inhibition of BET bromodomain targets genetically diverse glioblastoma. Clin Cancer Res. 2013 Apr 1;19(7):1748-59.

Title: Kate E Lines, et al. Epigenetic modifiers reduce proliferation of human neuroendocrine tumour cell lines. Endocrine Abstracts (2013) 31 P149

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SDS
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