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Home Other Building Blocks 1197958-12-5
1197958-12-5,MFCD23704187
Catalog No.:AA000PKP

1197958-12-5 | Ap26113

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98+%
in stock  
$6.00   $4.00
- +
10mg
98+%
in stock  
$8.00   $6.00
- +
1g
99%(HPLC)
in stock  
$234.00   $164.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000PKP
Chemical Name:
Ap26113
CAS Number:
1197958-12-5
Molecular Formula:
C26H34ClN6O2P
Molecular Weight:
529.0139
MDL Number:
MFCD23704187
SMILES:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N(C)C
Properties
Computed Properties
 
Complexity:
733  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
4.8  

Downstream Synthesis Route
1089279-91-3    1197953-49-3   
(2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphineoxide 

[1]JournalofMedicinalChemistry,2016,vol.59,p.4948-4964

[1]Huang,Wei-Sheng;Liu,Shuangying;Zou,Dong;Thomas,Mathew;Wang,Yihan;Zhou,Tianjun;Romero,Jan;Kohlmann,Anna;Li,Feng;Qi,Jiwei;Cai,Lisi;Dwight,TimothyA.;Xu,Yongjin;Xu,Rongsong;Dodd,Rory;Toms,Angela;Parillon,Lois;Lu,Xiaohui;Anjum,Rana;Zhang,Sen;Wang,Frank;Keats,Jeffrey;Wardwell,ScottD.;Ning,Yaoyu;Xu,Qihong;Moran,LaurenE.;Mohemmad,QurishK.;Jang,HyunGyung;Clackson,Tim;Narasimhan,NarayanaI.;Rivera,VictorM.;Zhu,Xiaotian;Dalgarno,David;Shakespeare,WilliamC.[JournalofMedicinalChemistry,2016,vol.59,#10,p.4948-4964]

[1]Huang,Wei-Sheng;Liu,Shuangying;Zou,Dong;Thomas,Mathew;Wang,Yihan;Zhou,Tianjun;Romero,Jan;Kohlmann,Anna;Li,Feng;Qi,Jiwei;Cai,Lisi;Dwight,TimothyA.;Xu,Yongjin;Xu,Rongsong;Dodd,Rory;Toms,Angela;Parillon,Lois;Lu,Xiaohui;Anjum,Rana;Zhang,Sen;Wang,Frank;Keats,Jeffrey;Wardwell,ScottD.;Ning,Yaoyu;Xu,Qihong;Moran,LaurenE.;Mohemmad,QurishK.;Jang,HyunGyung;Clackson,Tim;Narasimhan,NarayanaI.;Rivera,VictorM.;Zhu,Xiaotian;Dalgarno,David;Shakespeare,WilliamC.[JournalofMedicinalChemistry,2016,vol.59,#10,p.4948-4964]

[1]Huang,Wei-Sheng;Liu,Shuangying;Zou,Dong;Thomas,Mathew;Wang,Yihan;Zhou,Tianjun;Romero,Jan;Kohlmann,Anna;Li,Feng;Qi,Jiwei;Cai,Lisi;Dwight,TimothyA.;Xu,Yongjin;Xu,Rongsong;Dodd,Rory;Toms,Angela;Parillon,Lois;Lu,Xiaohui;Anjum,Rana;Zhang,Sen;Wang,Frank;Keats,Jeffrey;Wardwell,ScottD.;Ning,Yaoyu;Xu,Qihong;Moran,LaurenE.;Mohemmad,QurishK.;Jang,HyunGyung;Clackson,Tim;Narasimhan,NarayanaI.;Rivera,VictorM.;Zhu,Xiaotian;Dalgarno,David;Shakespeare,WilliamC.[JournalofMedicinalChemistry,2016,vol.59,#10,p.4948-4964]

1197953-47-1   
(2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphineoxide 

[1]JournalofMedicinalChemistry,2016,vol.59,p.4948-4964

Literature

Title: Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.

Journal: Journal of medicinal chemistry 20160526

Title: Therapeutic strategies to overcome crizotinib resistance in non-small cell lung cancers harboring the fusion oncogene EML4-ALK.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20110503

Title: Sen Zhang, Frank Wang, Jeffrey Keats, Abstract LB-298: AP26113, a potent ALK inhibitor, overcomes mutations in EML4-ALK that confer resistance to PF-02341066 (PF1066). Cancer Research: April 15, 2010; Volume 70, Issue 8, Supplement 1

Title: Victor M. Rivera, Frank Wang, Rana Anjum, Abstract 1794: AP26113 is a dual ALK/EGFR inhibitor: Characterization against EGFR T790M in cell and mouse models of NSCLC. Cancer Research: April 15, 2012; Volume 72, Issue 8, Supplement 1

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