859212-16-1,MFCD18633200
Catalog No.:AA00GTUD

859212-16-1 | Bafetinib

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Purity
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1mg
≥95%
in stock  
$63.00   $44.00
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5mg
≥95%
in stock  
$169.00   $118.00
- +
10mg
≥95%
in stock  
$306.00   $214.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GTUD
Chemical Name:
Bafetinib
CAS Number:
859212-16-1
Molecular Formula:
C30H31F3N8O
Molecular Weight:
576.6153
MDL Number:
MFCD18633200
SMILES:
CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C
Properties
Computed Properties
 
Complexity:
872  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

[2]CurrentPatentAssignee:NIPPONSHINYAKUCOLTD-EP1702917,2006,A1Locationinpatent:Page/Pagecolumn66-67

261952-01-6   
Bafetinib 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1421-1425

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

859213-39-1   
Bafetinib 

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

Literature

Title: Bafetinib, a dual Bcr-Abl/Lyn tyrosine kinase inhibitor for the potential treatment of leukemia.

Journal: Current opinion in investigational drugs (London, England : 2000) 20101201

Title: A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.

Journal: PLoS computational biology 20101101

Title: KIT polymorphisms and mutations determine responses of neoplastic mast cells to bafetinib (INNO-406).

Journal: Experimental hematology 20100901

Title: [Development of ABL tyrosine kinase inhibitors].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology 20100801

Title: Phase 1 study of INNO-406, a dual Abl/Lyn kinase inhibitor, in Philadelphia chromosome-positive leukemias after imatinib resistance or intolerance.

Journal: Cancer 20100601

Title: A comprehensive target selectivity survey of the BCR-ABL kinase inhibitor INNO-406 by kinase profiling and chemical proteomics in chronic myeloid leukemia cells.

Journal: Leukemia 20100101

Title: Development of novel tyrosine kinase inhibitors for treatment of imatinib-resistant CML patients.

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology 20090701

Title: Imatinib and its successors--how modern chemistry has changed drug development.

Journal: Current pharmaceutical design 20090101

Title: The Bcr-Abl kinase inhibitor INNO-406 induces autophagy and different modes of cell death execution in Bcr-Abl-positive leukemias.

Journal: Cell death and differentiation 20081101

Title: Comparison of imatinib, dasatinib, nilotinib and INNO-406 in imatinib-resistant cell lines.

Journal: Leukemia research 20080601

Title: Overcoming imatinib resistance using Src inhibitor CGP76030, Abl inhibitor nilotinib and Abl/Lyn inhibitor INNO-406 in newly established K562 variants with BCR-ABL gene amplification.

Journal: International journal of cancer 20080601

Title: Management of patients with resistant or refractory chronic myelogenous leukemia.

Journal: Oncology (Williston Park, N.Y.) 20080415

Title: Apoptosis-based dual molecular targeting by INNO-406, a second-generation Bcr-Abl inhibitor, and ABT-737, an inhibitor of antiapoptotic Bcl-2 proteins, against Bcr-Abl-positive leukemia.

Journal: Cell death and differentiation 20070901

Title: Sensitivity of human cells bearing oncogenic mutant kit isoforms to the novel tyrosine kinase inhibitor INNO-406.

Journal: Cancer science 20070801

Title: [Novel anti-CML agents beyond imatinib].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology 20070601

Title: Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives.

Journal: Bioorganic & medicinal chemistry letters 20070515

Title: [Innovation of clinical trials for anti-cancer drugs in Japan--proposals from academia with special reference to the development of novel Bcr-Abl/Lyn tyrosine kinase inhibitor INNO-406 (NS-187) for imatinib-resistant chronic myelogenous leukemia].

Journal: Gan to kagaku ryoho. Cancer & chemotherapy 20070201

Title: INNO-406, a novel BCR-ABL/Lyn dual tyrosine kinase inhibitor, suppresses the growth of Ph+ leukemia cells in the central nervous system, and cyclosporine A augments its in vivo activity.

Journal: Blood 20070101

Title: New targeted therapies for chronic myelogenous leukemia: opportunities to overcome imatinib resistance.

Journal: Seminars in hematology 20070101

Title: [Molecular targeting therapy for chronic myeloid leukemia].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology 20070101

Title: NS-187 (INNO-406), a Bcr-Abl/Lyn dual tyrosine kinase inhibitor.

Journal: Analytical chemistry insights 20070101

Title: In vivo antiproliferative effect of NS-187, a dual Bcr-Abl/Lyn tyrosine kinase inhibitor, on leukemic cells harbouring Abl kinase domain mutations.

Journal: Leukemia research 20061101

Title: Design and synthesis of 3-substituted benzamide derivatives as Bcr-Abl kinase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20060301

Title: [Novel inhibitors of Bcr-Abl].

Journal: Postepy higieny i medycyny doswiadczalnej (Online) 20060101

Title: NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia.

Journal: Blood 20051201

Title: Grace MS, et al. The tyrosine kinase inhibitor bafetinib inhibits PAR2-induced activation of TRPV4 channels in vitro and pain in vivo. Br J Pharmacol. 2014 Aug;171(16):3881-3894.

Title: Kimura S, et al. NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia. Blood. 2005 Dec 1;106(12):3948-3954.

Title: Kamitsuji Y, et al. The Bcr-Abl kinase inhibitor INNO-406 induces autophagy and different modes of cell death execution in Bcr-Abl-positive leukemias. Cell Death Differ. 2008, 15(11), 1712-2172.

Title: Yokota A, et al. INNO-406, a novel BCR-ABL/Lyn dual tyrosine kinase inhibitor, suppresses the growth of Ph+ leukemia cells in the central nervous system, and cyclosporine A augments its in vivo activity. Blood. 2007, 109(1), 306-314.

Title: Kuroda J, et al. Apoptosis-based dual molecular targeting by INNO-406, a second-generation Bcr-Abl inhibitor, and ABT-737, an inhibitor of antiapoptotic Bcl-2 proteins, against Bcr-Abl-positive leukemia. Cell Death Differ. 2007;14(9):1667-1677.

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SDS
Related Products of 859212-16-1
Tags:859212-16-1 Molecular Formula|859212-16-1 MDL|859212-16-1 SMILES|859212-16-1 Bafetinib
Catalog No.: AA00GTUD
859212-16-1,MFCD18633200
859212-16-1 | Bafetinib
Pack Size: 1mg
Purity: ≥95%
in stock
$63.00 $44.00
Pack Size: 5mg
Purity: ≥95%
in stock
$169.00 $118.00
Pack Size: 10mg
Purity: ≥95%
in stock
$306.00 $214.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00GTUD
Chemical Name: Bafetinib
CAS Number: 859212-16-1
Molecular Formula: C30H31F3N8O
Molecular Weight: 576.6153
MDL Number: MFCD18633200
SMILES: CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C
Properties
Complexity: 872  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 42  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Downstream Synthesis Route
859213-40-4    132883-44-4    859212-16-1 

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

[2]CurrentPatentAssignee:NIPPONSHINYAKUCOLTD-EP1702917,2006,A1Locationinpatent:Page/Pagecolumn66-67

261952-01-6   
Bafetinib 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1421-1425

948553-14-8    859212-16-1 

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

859213-39-1   
Bafetinib 

[1]Asaki,Tetsuo;Sugiyama,Yukiteru;Hamamoto,Taisuke;Higashioka,Masaya;Umehara,Masato;Naito,Haruna;Niwa,Tomoko[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1421-1425]

Literature fold

Title: Bafetinib, a dual Bcr-Abl/Lyn tyrosine kinase inhibitor for the potential treatment of leukemia.

Journal: Current opinion in investigational drugs (London, England : 2000)20101201

Title: A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.

Journal: PLoS computational biology20101101

Title: KIT polymorphisms and mutations determine responses of neoplastic mast cells to bafetinib (INNO-406).

Journal: Experimental hematology20100901

Title: [Development of ABL tyrosine kinase inhibitors].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology20100801

Title: Phase 1 study of INNO-406, a dual Abl/Lyn kinase inhibitor, in Philadelphia chromosome-positive leukemias after imatinib resistance or intolerance.

Journal: Cancer20100601

Title: A comprehensive target selectivity survey of the BCR-ABL kinase inhibitor INNO-406 by kinase profiling and chemical proteomics in chronic myeloid leukemia cells.

Journal: Leukemia20100101

Title: Development of novel tyrosine kinase inhibitors for treatment of imatinib-resistant CML patients.

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology20090701

Title: Imatinib and its successors--how modern chemistry has changed drug development.

Journal: Current pharmaceutical design20090101

Title: The Bcr-Abl kinase inhibitor INNO-406 induces autophagy and different modes of cell death execution in Bcr-Abl-positive leukemias.

Journal: Cell death and differentiation20081101

Title: Comparison of imatinib, dasatinib, nilotinib and INNO-406 in imatinib-resistant cell lines.

Journal: Leukemia research20080601

Title: Overcoming imatinib resistance using Src inhibitor CGP76030, Abl inhibitor nilotinib and Abl/Lyn inhibitor INNO-406 in newly established K562 variants with BCR-ABL gene amplification.

Journal: International journal of cancer20080601

Title: Management of patients with resistant or refractory chronic myelogenous leukemia.

Journal: Oncology (Williston Park, N.Y.)20080415

Title: Apoptosis-based dual molecular targeting by INNO-406, a second-generation Bcr-Abl inhibitor, and ABT-737, an inhibitor of antiapoptotic Bcl-2 proteins, against Bcr-Abl-positive leukemia.

Journal: Cell death and differentiation20070901

Title: Sensitivity of human cells bearing oncogenic mutant kit isoforms to the novel tyrosine kinase inhibitor INNO-406.

Journal: Cancer science20070801

Title: [Novel anti-CML agents beyond imatinib].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology20070601

Title: Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives.

Journal: Bioorganic & medicinal chemistry letters20070515

Title: [Innovation of clinical trials for anti-cancer drugs in Japan--proposals from academia with special reference to the development of novel Bcr-Abl/Lyn tyrosine kinase inhibitor INNO-406 (NS-187) for imatinib-resistant chronic myelogenous leukemia].

Journal: Gan to kagaku ryoho. Cancer & chemotherapy20070201

Title: INNO-406, a novel BCR-ABL/Lyn dual tyrosine kinase inhibitor, suppresses the growth of Ph+ leukemia cells in the central nervous system, and cyclosporine A augments its in vivo activity.

Journal: Blood20070101

Title: New targeted therapies for chronic myelogenous leukemia: opportunities to overcome imatinib resistance.

Journal: Seminars in hematology20070101

Title: [Molecular targeting therapy for chronic myeloid leukemia].

Journal: [Rinsho ketsueki] The Japanese journal of clinical hematology20070101

Title: NS-187 (INNO-406), a Bcr-Abl/Lyn dual tyrosine kinase inhibitor.

Journal: Analytical chemistry insights20070101

Title: In vivo antiproliferative effect of NS-187, a dual Bcr-Abl/Lyn tyrosine kinase inhibitor, on leukemic cells harbouring Abl kinase domain mutations.

Journal: Leukemia research20061101

Title: Design and synthesis of 3-substituted benzamide derivatives as Bcr-Abl kinase inhibitors.

Journal: Bioorganic & medicinal chemistry letters20060301

Title: [Novel inhibitors of Bcr-Abl].

Journal: Postepy higieny i medycyny doswiadczalnej (Online)20060101

Title: NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia.

Journal: Blood20051201

Title: Grace MS, et al. The tyrosine kinase inhibitor bafetinib inhibits PAR2-induced activation of TRPV4 channels in vitro and pain in vivo. Br J Pharmacol. 2014 Aug;171(16):3881-3894.

Title: Kimura S, et al. NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia. Blood. 2005 Dec 1;106(12):3948-3954.

Title: Kamitsuji Y, et al. The Bcr-Abl kinase inhibitor INNO-406 induces autophagy and different modes of cell death execution in Bcr-Abl-positive leukemias. Cell Death Differ. 2008, 15(11), 1712-2172.

Title: Yokota A, et al. INNO-406, a novel BCR-ABL/Lyn dual tyrosine kinase inhibitor, suppresses the growth of Ph+ leukemia cells in the central nervous system, and cyclosporine A augments its in vivo activity. Blood. 2007, 109(1), 306-314.

Title: Kuroda J, et al. Apoptosis-based dual molecular targeting by INNO-406, a second-generation Bcr-Abl inhibitor, and ABT-737, an inhibitor of antiapoptotic Bcl-2 proteins, against Bcr-Abl-positive leukemia. Cell Death Differ. 2007;14(9):1667-1677.

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