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Home Amines 839706-07-9
839706-07-9,MFCD18251569
Catalog No.:AA00G3PL

839706-07-9 | BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$166.00   $116.00
- +
10mg
≥98%
in stock  
$306.00   $214.00
- +
25mg
≥98%
in stock  
$652.00   $456.00
- +
100mg
97%
in stock  
$2,093.00   $1,465.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G3PL
Chemical Name:
BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
CAS Number:
839706-07-9
Molecular Formula:
C28H24F3N7O2
Molecular Weight:
547.5311
MDL Number:
MFCD18251569
SMILES:
Cc1ccc(cn1)Nc1ncc2c(n1)N(C)C(=O)N(C2)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
908  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
4.3  

Downstream Synthesis Route
5-Amino-2-methylpyridine 
  839705-68-9    839706-07-9 

[1]Locationinpatent:experimentalpartChoi,HwanGeun;Ren,Pingda;Adrian,Francisco;Sun,Fangxian;Lee,HyunSoo;Wang,Xia;Ding,Qiang;Zhang,Guobao;Xie,Yongping;Zhang,Jianming;Liu,Yi;Tuntland,Tove;Warmuth,Markus;Manley,PaulW.;Mestan,Jürgen;Gray,NathanaelS.;Sim,Taebo[JournalofMedicinalChemistry,2010,vol.53,#15,p.5439-5448]

[1]Cho,Hanna;Shin,Injae;Ju,Eunhye;Choi,Seunghye;Hur,Wooyoung;Kim,Haelee;Hong,Eunmi;Kim,NamDoo;Choi,HwanGeun;Gray,NathanaelS.;Sim,Taebo[JournalofMedicinalChemistry,2018,vol.61,#18,p.8353-8383]

[1]Cho,Hanna;Shin,Injae;Ju,Eunhye;Choi,Seunghye;Hur,Wooyoung;Kim,Haelee;Hong,Eunmi;Kim,NamDoo;Choi,HwanGeun;Gray,NathanaelS.;Sim,Taebo[JournalofMedicinalChemistry,2018,vol.61,#18,p.8353-8383]

N-((2,4-dichloropyrimidin-5-yl)methyl)-2-methyl-5-nitroaniline 
  839706-07-9 

[1]Cho,Hanna;Shin,Injae;Ju,Eunhye;Choi,Seunghye;Hur,Wooyoung;Kim,Haelee;Hong,Eunmi;Kim,NamDoo;Choi,HwanGeun;Gray,NathanaelS.;Sim,Taebo[JournalofMedicinalChemistry,2018,vol.61,#18,p.8353-8383]

2-chloro-N-methyl-5-(((2-methyl-5-nitrophenyl)amino)methyl)pyrimidin-4-amine 
  839706-07-9 

[1]Cho,Hanna;Shin,Injae;Ju,Eunhye;Choi,Seunghye;Hur,Wooyoung;Kim,Haelee;Hong,Eunmi;Kim,NamDoo;Choi,HwanGeun;Gray,NathanaelS.;Sim,Taebo[JournalofMedicinalChemistry,2018,vol.61,#18,p.8353-8383]

Literature

Title: A type-II kinase inhibitor capable of inhibiting the T315I 'gatekeeper' mutant of Bcr-Abl.

Journal: Journal of medicinal chemistry 20100812

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Tags:839706-07-9 Molecular Formula|839706-07-9 MDL|839706-07-9 SMILES|839706-07-9 BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-