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1884712-47-3,MFCD30489741
Catalog No.:AA00ABPA

1884712-47-3 | Cpi-637

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1mg
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50mg
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ABPA
Chemical Name:
Cpi-637
CAS Number:
1884712-47-3
Molecular Formula:
C22H22N6O
Molecular Weight:
386.4497
MDL Number:
MFCD30489741
SMILES:
C[C@@H]1CC(=O)Nc2c(N1)c(ccc2)c1ccc2c(c1)c(nn2C)c1cnn(c1)C
Properties
Computed Properties
 
Complexity:
616  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Taylor,AlexanderM.;Côté,Alexandre;Hewitt,MichaelC.;Pastor,Richard;Leblanc,Yves;Nasveschuk,ChristopherG.;Romero,F.Anthony;Crawford,TerryD.;Cantone,Nico;Jayaram,Hariharan;Setser,Jeremy;Murray,Jeremy;Beresini,MaureenH.;DeLeonBoenig,Gladys;Chen,Zhongguo;Conery,AndrewR.;Cummings,RichardT.;Dakin,LeslieA.;Flynn,E.Megan;Huang,OscarW.;Kaufman,Susan;Keller,PatriciaJ.;Kiefer,JamesR.;Lai,Tommy;Li,Yingjie;Liao,Jiangpeng;Liu,Wenfeng;Lu,Henry;Pardo,Eneida;Tsui,Vickie;Wang,Jian;Wang,Yongyun;Xu,Zhaowu;Yan,Fen;Yu,Dong;Zawadzke,Laura;Zhu,Xiaoqin;Zhu,Xiaoyu;Sims,RobertJ.;Cochran,AndreaG.;Bellon,Steve;Audia,JamesE.;Magnuson,Steven;Albrecht,BrianK.[ACSMedicinalChemistryLetters,2016,vol.7,#5,p.531-536]

[2]CurrentPatentAssignee:MORPHOSYSAG;WUXIAPPTECCO.,LTD.;ROCHEHOLDINGAG-WO2016/55028,2016,A1

[1]Taylor,AlexanderM.;Côté,Alexandre;Hewitt,MichaelC.;Pastor,Richard;Leblanc,Yves;Nasveschuk,ChristopherG.;Romero,F.Anthony;Crawford,TerryD.;Cantone,Nico;Jayaram,Hariharan;Setser,Jeremy;Murray,Jeremy;Beresini,MaureenH.;DeLeonBoenig,Gladys;Chen,Zhongguo;Conery,AndrewR.;Cummings,RichardT.;Dakin,LeslieA.;Flynn,E.Megan;Huang,OscarW.;Kaufman,Susan;Keller,PatriciaJ.;Kiefer,JamesR.;Lai,Tommy;Li,Yingjie;Liao,Jiangpeng;Liu,Wenfeng;Lu,Henry;Pardo,Eneida;Tsui,Vickie;Wang,Jian;Wang,Yongyun;Xu,Zhaowu;Yan,Fen;Yu,Dong;Zawadzke,Laura;Zhu,Xiaoqin;Zhu,Xiaoyu;Sims,RobertJ.;Cochran,AndreaG.;Bellon,Steve;Audia,JamesE.;Magnuson,Steven;Albrecht,BrianK.[ACSMedicinalChemistryLetters,2016,vol.7,#5,p.531-536]

[2]CurrentPatentAssignee:MORPHOSYSAG;WUXIAPPTECCO.,LTD.;ROCHEHOLDINGAG-WO2016/55028,2016,A1

[1]Taylor,AlexanderM.;Côté,Alexandre;Hewitt,MichaelC.;Pastor,Richard;Leblanc,Yves;Nasveschuk,ChristopherG.;Romero,F.Anthony;Crawford,TerryD.;Cantone,Nico;Jayaram,Hariharan;Setser,Jeremy;Murray,Jeremy;Beresini,MaureenH.;DeLeonBoenig,Gladys;Chen,Zhongguo;Conery,AndrewR.;Cummings,RichardT.;Dakin,LeslieA.;Flynn,E.Megan;Huang,OscarW.;Kaufman,Susan;Keller,PatriciaJ.;Kiefer,JamesR.;Lai,Tommy;Li,Yingjie;Liao,Jiangpeng;Liu,Wenfeng;Lu,Henry;Pardo,Eneida;Tsui,Vickie;Wang,Jian;Wang,Yongyun;Xu,Zhaowu;Yan,Fen;Yu,Dong;Zawadzke,Laura;Zhu,Xiaoqin;Zhu,Xiaoyu;Sims,RobertJ.;Cochran,AndreaG.;Bellon,Steve;Audia,JamesE.;Magnuson,Steven;Albrecht,BrianK.[ACSMedicinalChemistryLetters,2016,vol.7,#5,p.531-536]

[2]CurrentPatentAssignee:MORPHOSYSAG;WUXIAPPTECCO.,LTD.;ROCHEHOLDINGAG-WO2016/55028,2016,A1Locationinpatent:Page/Pagecolumn114

3970-37-4   
(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2Hbenzob1,4diazepin-2-one 

[1]ACSMedicinalChemistryLetters,2016,vol.7,p.531-536

[1]Taylor,AlexanderM.;Côté,Alexandre;Hewitt,MichaelC.;Pastor,Richard;Leblanc,Yves;Nasveschuk,ChristopherG.;Romero,F.Anthony;Crawford,TerryD.;Cantone,Nico;Jayaram,Hariharan;Setser,Jeremy;Murray,Jeremy;Beresini,MaureenH.;DeLeonBoenig,Gladys;Chen,Zhongguo;Conery,AndrewR.;Cummings,RichardT.;Dakin,LeslieA.;Flynn,E.Megan;Huang,OscarW.;Kaufman,Susan;Keller,PatriciaJ.;Kiefer,JamesR.;Lai,Tommy;Li,Yingjie;Liao,Jiangpeng;Liu,Wenfeng;Lu,Henry;Pardo,Eneida;Tsui,Vickie;Wang,Jian;Wang,Yongyun;Xu,Zhaowu;Yan,Fen;Yu,Dong;Zawadzke,Laura;Zhu,Xiaoqin;Zhu,Xiaoyu;Sims,RobertJ.;Cochran,AndreaG.;Bellon,Steve;Audia,JamesE.;Magnuson,Steven;Albrecht,BrianK.[ACSMedicinalChemistryLetters,2016,vol.7,#5,p.531-536]

[2]CurrentPatentAssignee:MORPHOSYSAG;WUXIAPPTECCO.,LTD.;ROCHEHOLDINGAG-WO2016/55028,2016,A1

Literature

Title: Taylor AM, et al. Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). ACS Med Chem Lett. 2016 Mar 15;7(5):531-6.

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