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1095173-27-5,MFCD25976839
Catalog No.:AA008TG5

1095173-27-5 | PF 04449913

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$35.00   $25.00
- +
5mg
98+%
in stock  
$86.00   $61.00
- +
10mg
98+%
in stock  
$128.00   $89.00
- +
25mg
98+%
in stock  
$217.00   $152.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008TG5
Chemical Name:
PF 04449913
CAS Number:
1095173-27-5
Molecular Formula:
C21H22N6O
Molecular Weight:
374.4390
MDL Number:
MFCD25976839
SMILES:
N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C
Properties
Computed Properties
 
Complexity:
595  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Munchhof,MichaelJ.;Li,Qifang;Shavnya,Andrei;Borzillo,GaryV.;Boyden,TraceyL.;Jones,ChristopherS.;Lagreca,SusanD.;Martinez-Alsina,Luis;Patel,Nandini;Pelletier,Kathleen;Reiter,LarryA.;Robbins,MichaelD.;Tkalcevic,GeorgeT.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.106-111]

[1]Munchhof,MichaelJ.;Li,Qifang;Shavnya,Andrei;Borzillo,GaryV.;Boyden,TraceyL.;Jones,ChristopherS.;Lagreca,SusanD.;Martinez-Alsina,Luis;Patel,Nandini;Pelletier,Kathleen;Reiter,LarryA.;Robbins,MichaelD.;Tkalcevic,GeorgeT.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.106-111]

[1]Munchhof,MichaelJ.;Li,Qifang;Shavnya,Andrei;Borzillo,GaryV.;Boyden,TraceyL.;Jones,ChristopherS.;Lagreca,SusanD.;Martinez-Alsina,Luis;Patel,Nandini;Pelletier,Kathleen;Reiter,LarryA.;Robbins,MichaelD.;Tkalcevic,GeorgeT.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.106-111]

[1]Munchhof,MichaelJ.;Li,Qifang;Shavnya,Andrei;Borzillo,GaryV.;Boyden,TraceyL.;Jones,ChristopherS.;Lagreca,SusanD.;Martinez-Alsina,Luis;Patel,Nandini;Pelletier,Kathleen;Reiter,LarryA.;Robbins,MichaelD.;Tkalcevic,GeorgeT.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.106-111]

[1]Munchhof,MichaelJ.;Li,Qifang;Shavnya,Andrei;Borzillo,GaryV.;Boyden,TraceyL.;Jones,ChristopherS.;Lagreca,SusanD.;Martinez-Alsina,Luis;Patel,Nandini;Pelletier,Kathleen;Reiter,LarryA.;Robbins,MichaelD.;Tkalcevic,GeorgeT.[ACSMedicinalChemistryLetters,2012,vol.3,#2,p.106-111]

Literature

Title: Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened.

Journal: ACS medicinal chemistry letters 20120209

Title: Sadarangani A, et al. GLI2 inhibition abrogates human leukemia stem cell dormancy. J Transl Med. 2015 Mar 21;13:98.

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