443797-96-4,MFCD11100270
Catalog No.:AA0037DG

443797-96-4 | JNJ-7706621

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$63.00   $44.00
- +
5mg
98%
in stock  
$91.00   $64.00
- +
10mg
98%
in stock  
$123.00   $86.00
- +
50mg
98%
in stock  
$245.00   $172.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0037DG
Chemical Name:
JNJ-7706621
CAS Number:
443797-96-4
Molecular Formula:
C15H12F2N6O3S
Molecular Weight:
394.3560
MDL Number:
MFCD11100270
SMILES:
Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F
Properties
Properties
 
BP:
676.6°C at 760 mmHg  
Form:
Solid  
MP:
149-155 °C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
630  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn46-47

[1]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn46

[2]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn48-49

[3]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn54-55

[4]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[5]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[6]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[7]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[8]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[9]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[10]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[11]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[12]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[13]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[14]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[15]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[16]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[17]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[18]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[19]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[20]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[21]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[22]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[23]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[24]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[25]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[26]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[27]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[28]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[29]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[30]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[31]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[32]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[33]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[34]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[35]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[36]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[37]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

[2]BioorganicandMedicinalChemistryLetters,2010,vol.20,#24,p.7454-7457

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

Literature

Title: Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.

Journal: ACS medicinal chemistry letters 20170608

Title: ATP binding to the pseudokinase domain of JAK2 is critical for pathogenic activation.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20150414

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.

Journal: The Biochemical journal 20130415

Title: Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases.

Journal: Current cancer drug targets 20120701

Title: Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase.

Journal: The Biochemical journal 20111115

Title: Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.

Journal: Nature biotechnology 20111101

Title: Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives.

Journal: European journal of medicinal chemistry 20110601

Title: Diamino-1,2,4-triazole derivatives are selective inhibitors of TYK2 and JAK1 over JAK2 and JAK3.

Journal: Bioorganic & medicinal chemistry letters 20101215

Title: Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621.

Journal: International journal of pharmaceutics 20100615

Title: A quantitative analysis of kinase inhibitor selectivity.

Journal: Nature biotechnology 20080101

Title: Role of the ABCG2 drug transporter in the resistance and oral bioavailability of a potent cyclin-dependent kinase/Aurora kinase inhibitor.

Journal: Molecular cancer therapeutics 20061001

Title: 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities.

Journal: Journal of medicinal chemistry 20050630

Title: Huang S, et al. Synthesis and evaluation of N-acyl sulfonamides as potential prodrugs of cyclin-dependent kinase inhibitor JNJ-7706621. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3639-41. Epub 2006 May 6.

Title: Matsuhashi A, et al. Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases. Curr Cancer Drug Targets. 2012 Jul;12(6):625-39.

Title: Emanuel S, et al. The in vitro and in vivo effects of JNJ-7706621: a dual inhibitor of cyclin-dependent kinases and aurora kinases. Cancer Res. 2005 Oct 1;65(19):9038-46.

Title: Danhier F, et al. Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621. Int J Pharm. 2010 Jun 15;392(1-2):20-8.

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Related Products of 443797-96-4
Tags:443797-96-4 Molecular Formula|443797-96-4 MDL|443797-96-4 SMILES|443797-96-4 JNJ-7706621
Catalog No.: AA0037DG
443797-96-4,MFCD11100270
443797-96-4 | JNJ-7706621
Pack Size: 1mg
Purity: ≥98%
in stock
$63.00 $44.00
Pack Size: 5mg
Purity: 98%
in stock
$91.00 $64.00
Pack Size: 10mg
Purity: 98%
in stock
$123.00 $86.00
Pack Size: 50mg
Purity: 98%
in stock
$245.00 $172.00
Quantity
- +
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Technical Information
Catalog Number: AA0037DG
Chemical Name: JNJ-7706621
CAS Number: 443797-96-4
Molecular Formula: C15H12F2N6O3S
Molecular Weight: 394.3560
MDL Number: MFCD11100270
SMILES: Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F
Properties
BP: 676.6°C at 760 mmHg  
Form: Solid  
MP: 149-155 °C  
Storage: Inert atmosphere;-20 ℃;  
Complexity: 630  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
172935-91-0    79463-77-7    63-74-1    443797-96-4 

[1]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn46-47

172935-91-0    700805-72-7    443797-96-4 

[1]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn46

[2]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn48-49

[3]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn54-55

[4]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[5]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[6]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[7]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[8]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[9]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[10]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[11]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[12]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[13]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[14]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[15]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[16]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[17]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[18]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[19]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[20]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[21]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[22]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[23]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[24]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[25]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[26]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[27]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[28]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[29]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[30]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[31]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[32]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn50-51

[33]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[34]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[35]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[36]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

[37]Patent:WO2005/77922,2005,A2,.Locationinpatent:Page/Pagecolumn49-50

443799-31-3    18063-02-0    443797-96-4 

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

[2]BioorganicandMedicinalChemistryLetters,2010,vol.20,#24,p.7454-7457

700805-72-7    443797-96-4 

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

443799-30-2    443797-96-4 

[1]JournalofMedicinalChemistry,2005,vol.48,#13,p.4208-4211

Literature fold

Title: Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.

Journal: ACS medicinal chemistry letters20170608

Title: ATP binding to the pseudokinase domain of JAK2 is critical for pathogenic activation.

Journal: Proceedings of the National Academy of Sciences of the United States of America20150414

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters20130801

Title: A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.

Journal: The Biochemical journal20130415

Title: Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases.

Journal: Current cancer drug targets20120701

Title: Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase.

Journal: The Biochemical journal20111115

Title: Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.

Journal: Nature biotechnology20111101

Title: Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives.

Journal: European journal of medicinal chemistry20110601

Title: Diamino-1,2,4-triazole derivatives are selective inhibitors of TYK2 and JAK1 over JAK2 and JAK3.

Journal: Bioorganic & medicinal chemistry letters20101215

Title: Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621.

Journal: International journal of pharmaceutics20100615

Title: A quantitative analysis of kinase inhibitor selectivity.

Journal: Nature biotechnology20080101

Title: Role of the ABCG2 drug transporter in the resistance and oral bioavailability of a potent cyclin-dependent kinase/Aurora kinase inhibitor.

Journal: Molecular cancer therapeutics20061001

Title: 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities.

Journal: Journal of medicinal chemistry20050630

Title: Huang S, et al. Synthesis and evaluation of N-acyl sulfonamides as potential prodrugs of cyclin-dependent kinase inhibitor JNJ-7706621. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3639-41. Epub 2006 May 6.

Title: Matsuhashi A, et al. Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases. Curr Cancer Drug Targets. 2012 Jul;12(6):625-39.

Title: Emanuel S, et al. The in vitro and in vivo effects of JNJ-7706621: a dual inhibitor of cyclin-dependent kinases and aurora kinases. Cancer Res. 2005 Oct 1;65(19):9038-46.

Title: Danhier F, et al. Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621. Int J Pharm. 2010 Jun 15;392(1-2):20-8.

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