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1489389-18-5,MFCD30489721
Catalog No.:AA00ABOG

1489389-18-5 | CCT245737

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97+%
in stock  
$29.00   $20.00
- +
5mg
97+%
in stock  
$72.00   $50.00
- +
25mg
97+%
in stock  
$178.00   $125.00
- +
100mg
95%
in stock  
$522.00   $365.00
- +
250mg
95%
in stock  
$982.00   $688.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ABOG
Chemical Name:
CCT245737
CAS Number:
1489389-18-5
Molecular Formula:
C16H16F3N7O
Molecular Weight:
379.3397
MDL Number:
MFCD30489721
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
526  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CANCERRESEARCHUK-WO2013/171470,2013,A1

[2]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

135065-71-3   
(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)-pyrazine-2-carbonitrile 

[1]Patent:WO2013/171470,2013,A1

(S)-tert-butyl2-((2-chloro-5-(trifluoromethyl)pyridin-4-ylamino)methyl)morpholine-4-carboxylate 
  113305-94-5   
(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)-pyrazine-2-carbonitrile 

[1]Patent:WO2013/171470,2013,A1

[1]CurrentPatentAssignee:CANCERRESEARCHUK-WO2013/171470,2013,A1Locationinpatent:Page/Pagecolumn42-43

[2]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2021/207210,2021,A1Locationinpatent:Paragraph00247;00252;00254-00256

[1]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

Literature

Title: Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).

Journal: Journal of medicinal chemistry 20160609

Title: The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eµ-MYC driven B-cell lymphoma.

Journal: Oncotarget 20160119

Title: Osborne JD, et al. Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J Med Chem. 2016 Jun 9;59(11):5221-37.

Title: Walton MI, et al. The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eμ-MYC driven B-cell lymphoma.

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Tags:1489389-18-5 Molecular Formula|1489389-18-5 MDL|1489389-18-5 SMILES|1489389-18-5 CCT245737
Catalog No.: AA00ABOG
1489389-18-5,MFCD30489721
1489389-18-5 | CCT245737
Pack Size： 1mg
Purity： 97+%
in stock
$29.00 $20.00
Pack Size： 5mg
Purity： 97+%
in stock
$72.00 $50.00
Pack Size： 25mg
Purity： 97+%
in stock
$178.00 $125.00
Pack Size： 100mg
Purity： 95%
in stock
$522.00 $365.00
Pack Size： 250mg
Purity： 95%
in stock
$982.00 $688.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ABOG
Chemical Name: CCT245737
CAS Number: 1489389-18-5
Molecular Formula: C16H16F3N7O
Molecular Weight: 379.3397
MDL Number: MFCD30489721
SMILES: N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F
Properties
Complexity: 526  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
135065-64-4    1489389-18-5 

[1]CurrentPatentAssignee:CANCERRESEARCHUK-WO2013/171470,2013,A1

[2]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

135065-71-3   
(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)-pyrazine-2-carbonitrile 

[1]Patent:WO2013/171470,2013,A1

(S)-tert-butyl2-((2-chloro-5-(trifluoromethyl)pyridin-4-ylamino)methyl)morpholine-4-carboxylate 
  113305-94-5   
(R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)-pyrazine-2-carbonitrile 

[1]Patent:WO2013/171470,2013,A1

1489389-20-9    1489389-18-5 

[1]CurrentPatentAssignee:CANCERRESEARCHUK-WO2013/171470,2013,A1Locationinpatent:Page/Pagecolumn42-43

[2]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2021/207210,2021,A1Locationinpatent:Paragraph00247;00252;00254-00256

1956363-89-5    1489389-18-5 

[1]Osborne,JamesD.;Matthews,ThomasP.;McHardy,Tatiana;Proisy,Nicolas;Cheung,Kwai-MingJ.;Lainchbury,Michael;Brown,Nathan;Walton,MichaelI.;Eve,PaulD.;Boxall,KatherineJ.;Hayes,Angela;Henley,AlanT.;Valenti,MelanieR.;DeHavenBrandon,AlexisK.;Box,Gary;Jamin,Yann;Robinson,SimonP.;Westwood,IsaacM.;VanMontfort,RobL.M.;Leonard,PhilipM.;Lamers,MariekeB.A.C.;Reader,JohnC.;Aherne,G.Wynne;Raynaud,FlorenceI.;Eccles,SuzanneA.;Garrett,MichelleD.;Collins,Ian[JournalofMedicinalChemistry,2016,vol.59,#11,p.5221-5237]

Literature fold

Title: Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).

Journal: Journal of medicinal chemistry20160609

Title: The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eµ-MYC driven B-cell lymphoma.

Journal: Oncotarget20160119

Title: Osborne JD, et al. Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J Med Chem. 2016 Jun 9;59(11):5221-37.

Title: Walton MI, et al. The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eμ-MYC driven B-cell lymphoma.

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