Home Fluorides 1315355-93-1
1315355-93-1,MFCD19443255
Catalog No.:AA000ZAD

1315355-93-1 | Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-

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1mg
98%
in stock  
$89.00   $62.00
- +
5mg
98%
in stock  
$243.00   $171.00
- +
10mg
98%
in stock  
$432.00   $302.00
- +
100mg
98%
in stock  
$1,590.00   $1,113.00
- +
250mg
98%
in stock  
$2,389.00   $1,673.00
- +
1g
98%
in stock  
$5,416.00   $3,791.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000ZAD
Chemical Name:
Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-
CAS Number:
1315355-93-1
Molecular Formula:
C29H30F3N5O2
Molecular Weight:
537.5760
MDL Number:
MFCD19443255
SMILES:
CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C
Properties
Computed Properties
 
Complexity:
808  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
4.9  

Downstream Synthesis Route

[1]Tan,Li;Nomanbhoy,Tyzoon;Gurbani,Deepak;Patricelli,Matthew;Hunter,John;Geng,Jiefei;Herhaus,Lina;Zhang,Jianming;Pauls,Eduardo;Ham,Youngjin;Choi,HwanGeun;Xie,Ting;Deng,Xianming;Buhrlage,SaraJ.;Sim,Taebo;Cohen,Philip;Sapkota,Gopal;Westover,KennethD.;Gray,NathanaelS.[JournalofMedicinalChemistry,2015,vol.58,#1,p.183-196]

4-methyl-3-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo2,3-bpyridin-4-yl)oxy)benzoicacid 
  1315355-93-1 

[1]Tan,Li;Nomanbhoy,Tyzoon;Gurbani,Deepak;Patricelli,Matthew;Hunter,John;Geng,Jiefei;Herhaus,Lina;Zhang,Jianming;Pauls,Eduardo;Ham,Youngjin;Choi,HwanGeun;Xie,Ting;Deng,Xianming;Buhrlage,SaraJ.;Sim,Taebo;Cohen,Philip;Sapkota,Gopal;Westover,KennethD.;Gray,NathanaelS.[JournalofMedicinalChemistry,2015,vol.58,#1,p.183-196]

N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)-phenyl)-4-methyl-3-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo2,3-bpyridin-4-yl)oxy)benzamide 
  1315355-93-1 

[1]Tan,Li;Nomanbhoy,Tyzoon;Gurbani,Deepak;Patricelli,Matthew;Hunter,John;Geng,Jiefei;Herhaus,Lina;Zhang,Jianming;Pauls,Eduardo;Ham,Youngjin;Choi,HwanGeun;Xie,Ting;Deng,Xianming;Buhrlage,SaraJ.;Sim,Taebo;Cohen,Philip;Sapkota,Gopal;Westover,KennethD.;Gray,NathanaelS.[JournalofMedicinalChemistry,2015,vol.58,#1,p.183-196]

[1]JournalofMedicinalChemistry,2015,vol.58,p.183-196

Literature

Title: Discovery of type II inhibitors of TGFβ-activated kinase 1 (TAK1) and mitogen-activated protein kinase kinase kinase kinase 2 (MAP4K2).

Journal: Journal of medicinal chemistry 20150108

Title: Identification of TGF-β-activated kinase 1 as a possible novel target for renal cell carcinoma intervention.

Journal: Biochemical and biophysical research communications 20141010

Title: Tan L, et al. Discovery of type II inhibitors of TGFβ-activated kinase 1 (TAK1) and mitogen-activated protein kinase kinase kinase kinase 2 (MAP4K2). J Med Chem. 2015 Jan 8;58(1):183-96.

Title: Pauls E, et al. Essential role for IKKβ in production of type 1 interferons by plasmacytoid dendritic cells. J Biol Chem. 2012 Jun 1;287(23):19216-28.

Title: Wang Z, et al. TAK1 inhibitor NG25 enhances doxorubicin-mediated apoptosis in breast cancer cells. Sci Rep. 2016 Sep 7;6:32737.

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Tags:1315355-93-1 Molecular Formula|1315355-93-1 MDL|1315355-93-1 SMILES|1315355-93-1 Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-