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1320288-17-2,MFCD22378486
Catalog No.:AA000ZZN

1320288-17-2 | UNC0646

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$37.00   $26.00
- +
5mg
98%
in stock  
$92.00   $64.00
- +
10mg
98%
in stock  
$136.00   $96.00
- +
25mg
98%
in stock  
$231.00   $162.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000ZZN
Chemical Name:
UNC0646
CAS Number:
1320288-17-2
Molecular Formula:
C36H59N7O2
Molecular Weight:
621.8994
MDL Number:
MFCD22378486
SMILES:
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Properties
Computed Properties
 
Complexity:
845  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
XLogP3:
6.9  

Downstream Synthesis Route

[1]Liu,Feng;Barsyte-Lovejoy,Dalia;Allali-Hassani,Abdellah;He,Yunlong;Herold,J.Martin;Chen,Xin;Yates,ChristopherM.;Frye,StephenV.;Brown,PeterJ.;Huang,Jing;Vedadi,Masoud;Arrowsmith,CherylH.;Jin,Jian[JournalofMedicinalChemistry,2011,vol.54,#17,p.6139-6150]

[1]Liu,Feng;Barsyte-Lovejoy,Dalia;Allali-Hassani,Abdellah;He,Yunlong;Herold,J.Martin;Chen,Xin;Yates,ChristopherM.;Frye,StephenV.;Brown,PeterJ.;Huang,Jing;Vedadi,Masoud;Arrowsmith,CherylH.;Jin,Jian[JournalofMedicinalChemistry,2011,vol.54,#17,p.6139-6150]

C28H42ClN5O2 
  59039-61-1    1320288-17-2 

[1]Locationinpatent:experimentalpartLiu,Feng;Barsyte-Lovejoy,Dalia;Allali-Hassani,Abdellah;He,Yunlong;Herold,J.Martin;Chen,Xin;Yates,ChristopherM.;Frye,StephenV.;Brown,PeterJ.;Huang,Jing;Vedadi,Masoud;Arrowsmith,CherylH.;Jin,Jian[JournalofMedicinalChemistry,2011,vol.54,#17,p.6139-6150]

C18H27N3O5 
  1320288-17-2 

[1]Liu,Feng;Barsyte-Lovejoy,Dalia;Allali-Hassani,Abdellah;He,Yunlong;Herold,J.Martin;Chen,Xin;Yates,ChristopherM.;Frye,StephenV.;Brown,PeterJ.;Huang,Jing;Vedadi,Masoud;Arrowsmith,CherylH.;Jin,Jian[JournalofMedicinalChemistry,2011,vol.54,#17,p.6139-6150]

C17H23N3O4 
  1320288-17-2 

[1]Liu,Feng;Barsyte-Lovejoy,Dalia;Allali-Hassani,Abdellah;He,Yunlong;Herold,J.Martin;Chen,Xin;Yates,ChristopherM.;Frye,StephenV.;Brown,PeterJ.;Huang,Jing;Vedadi,Masoud;Arrowsmith,CherylH.;Jin,Jian[JournalofMedicinalChemistry,2011,vol.54,#17,p.6139-6150]

Literature

Title: Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.

Journal: Journal of medicinal chemistry 20110908

Title: Liu F, et al. Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. J Med Chem. 2011 Sep 8;54(17):6139-50.

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SDS
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