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1228591-30-7,MFCD26960965
Catalog No.:AA000JJ9

1228591-30-7 | N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
98%
in stock  
$100.00   $70.00
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10mg
98%
in stock  
$154.00   $108.00
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25mg
98%
in stock  
$220.00   $154.00
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50mg
98%
in stock  
$349.00   $244.00
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100mg
98%
in stock  
$582.00   $408.00
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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:
AA000JJ9
Chemical Name:
N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CAS Number:
1228591-30-7
Molecular Formula:
C27H18F4N4O3S
Molecular Weight:
554.5154
MDL Number:
MFCD26960965
SMILES:
N#Cc1c(ccc2c1sc(n2)NC(=O)C1CC1)Oc1ccc(c(c1)NC(=O)Cc1cccc(c1)C(F)(F)F)F
Properties
Computed Properties
 
Complexity:
957  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
5.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2010/64722,2010,A1Locationinpatent:Page/Pagecolumn192

[1]Okaniwa,Masanori;Hirose,Masaaki;Arita,Takeo;Yabuki,Masato;Nakamura,Akito;Takagi,Terufumi;Kawamoto,Tomohiro;Uchiyama,Noriko;Sumita,Akihiko;Tsutsumi,Shunichirou;Tottori,Tsuneaki;Inui,Yoshitaka;Sang,Bi-Ching;Yano,Jason;Aertgeerts,Kathleen;Yoshida,Sei;Ishikawa,Tomoyasu[JournalofMedicinalChemistry,2013,vol.56,#16,p.6478-6494]

[1]Okaniwa,Masanori;Hirose,Masaaki;Arita,Takeo;Yabuki,Masato;Nakamura,Akito;Takagi,Terufumi;Kawamoto,Tomohiro;Uchiyama,Noriko;Sumita,Akihiko;Tsutsumi,Shunichirou;Tottori,Tsuneaki;Inui,Yoshitaka;Sang,Bi-Ching;Yano,Jason;Aertgeerts,Kathleen;Yoshida,Sei;Ishikawa,Tomoyasu[JournalofMedicinalChemistry,2013,vol.56,#16,p.6478-6494]

[1]Okaniwa,Masanori;Hirose,Masaaki;Arita,Takeo;Yabuki,Masato;Nakamura,Akito;Takagi,Terufumi;Kawamoto,Tomohiro;Uchiyama,Noriko;Sumita,Akihiko;Tsutsumi,Shunichirou;Tottori,Tsuneaki;Inui,Yoshitaka;Sang,Bi-Ching;Yano,Jason;Aertgeerts,Kathleen;Yoshida,Sei;Ishikawa,Tomoyasu[JournalofMedicinalChemistry,2013,vol.56,#16,p.6478-6494]

[1]Okaniwa,Masanori;Hirose,Masaaki;Arita,Takeo;Yabuki,Masato;Nakamura,Akito;Takagi,Terufumi;Kawamoto,Tomohiro;Uchiyama,Noriko;Sumita,Akihiko;Tsutsumi,Shunichirou;Tottori,Tsuneaki;Inui,Yoshitaka;Sang,Bi-Ching;Yano,Jason;Aertgeerts,Kathleen;Yoshida,Sei;Ishikawa,Tomoyasu[JournalofMedicinalChemistry,2013,vol.56,#16,p.6478-6494]

Literature

Title: Okaniwa M, et al. Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives. J Med Chem. 2013 Aug 22;56(16):6478-94.

Title: Nakamura A, et al. Antitumor activity of the selective pan-RAF inhibitor TAK-632 in BRAF inhibitor-resistant melanoma. Cancer Res. 2013 Oct 11.

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Tags:1228591-30-7 Molecular Formula|1228591-30-7 MDL|1228591-30-7 SMILES|1228591-30-7 N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide