84951-44-0,MFCD00190248
Catalog No.:AA00G2NJ

84951-44-0 | 2-Piperazinonicotinonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$32.00   $23.00
- +
5g
95%
in stock  
$104.00   $73.00
- +
25g
95%
in stock  
$424.00 $297.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00G2NJ
Chemical Name:
2-Piperazinonicotinonitrile
CAS Number:
84951-44-0
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD00190248
SMILES:
C1CN(CCN1)C2=C(C=CC=N2)C#N
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Ishizumi;Kojima;Antoku[ChemicalandPharmaceuticalBulletin,1991,vol.39,#9,p.2288-2300]

[2]CurrentPatentAssignee:EUROCELTIQUES.A.-WO2005/12287,2005,A1Locationinpatent:Page/Pagecolumn92

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US4585773,1986,A

[4]Naz,Huma;Jameel,Ehtesham;Hoda,Nasimul;Shandilya,Ashutosh;Khan,Parvez;Islam,Asimul;Ahmad,Faizan;Jayaram;Hassan,Md.Imtaiyaz[BioorganicandMedicinalChemistryLetters,2016,vol.26,#3,p.782-788]

[5]Saari,WalfredS.;Halczenko,Wasyl;King,StellaW.;Huff,JoelR.;Guare,JamesP.;etal.[JournalofMedicinalChemistry,1983,vol.26,#12,p.1696-1701]

[6]Sun,Qun;Tafesse,Laykea;Islam,Khondaker;Zhou,Xiaoming;Victory,SamF.;Zhang,Chongwu;Hachicha,Mohamed;Schmid,LoriA.;Patel,Aniket;Rotshteyn,Yakov;Valenzano,KennethJ.;Kyle,DonaldJ.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#20,p.3611-3616]

[7]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US4456756,1984,A

[8]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1308439,2003,A1

[9]Locationinpatent:schemeortableSun,Daqing;Wang,Zhulun;Di,Yongmei;Jaen,JuanC.;Labelle,Marc;Ma,Ji;Miao,Shichang;Sudom,Athena;Tang,Liang;Tomooka,CraigS.;Tu,Hua;Ursu,Stefania;Walker,Nigel;Yan,Xuelei;Ye,Qiuping;Powers,JayP.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#12,p.3513-3516]

[10]Maqbool,Mudasir;Manral,Apra;Jameel,Ehtesham;Kumar,Jitendra;Saini,Vikas;Shandilya,Ashutosh;Tiwari,Manisha;Hoda,Nasimul;Jayaram[BioorganicandMedicinalChemistry,2016,vol.24,#12,p.2777-2788]

[11]Kumar,Jitendra;Meena,Poonam;Singh,Anju;Jameel,Ehtesham;Maqbool,Mudasir;Mobashir,Mohammad;Shandilya,Ashutosh;Tiwari,Manisha;Hoda,Nasimul;Jayaram[EuropeanJournalofMedicinalChemistry,2016,vol.119,p.260-277]

[12]Umar,Tarana;Shalini,Shruti;Raza,MdKausar;Gusain,Siddharth;Kumar,Jitendra;Seth,Prerna;Tiwari,Manisha;Hoda,Nasimul[EuropeanJournalofMedicinalChemistry,2019,vol.175,p.2-19]

[13]Singh,Anju;Kalamuddin,Md;Maqbool,Mudasir;Mohmmed,Asif;Malhotra,Pawan;Hoda,Nasimul[BioorganicChemistry,2021,vol.108]

[14]Bojarski,AndrzejJ.;Dehaen,Wim;Janousek,Jiri;Juza,Radomir;Karasova,JanaZdarova;Kobrlova,Tereza;Korabecny,Jan;Kubacka,Monika;Mezeiova,Eva;Mogilski,Szczepan;Musilek,Kamil;Pejchal,Jaroslav;Petrasek,Tomas;Prchal,Lukas;Randakova,Alena;Satala,Grzegorz;Soukup,Ondrej;Stark,Holger;Stefkova-Mazochova,Kristyna;Svozil,Daniel;Vlcek,Premysl;Vojtechova,Iveta[EuropeanJournalofMedicinalChemistry,2022,vol.232]

[15]Bojarski,AndrzejJ.;Dehaen,Wim;Janousek,Jiri;Juza,Radomir;Karasova,JanaZdarova;Kobrlova,Tereza;Korabecny,Jan;Kubacka,Monika;Mezeiova,Eva;Mogilski,Szczepan;Musilek,Kamil;Pejchal,Jaroslav;Petrasek,Tomas;Prchal,Lukas;Randakova,Alena;Satala,Grzegorz;Soukup,Ondrej;Stark,Holger;Stefkova-Mazochova,Kristyna;Svozil,Daniel;Vlcek,Premysl;Vojtechova,Iveta[EuropeanJournalofMedicinalChemistry,2022,vol.232]

17641-08-6    84951-44-0   
2-4-(3-cyano-pyridin-2-yl)-piperazin-1-yl-<i>N</i>-(3-methoxy-phenyl)-acetamide 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.3471-3483

3792-04-9    84951-44-0   
2-4-(3-cyano-2-pyridinyl)-1-piperazinyl-N-2-(trifluoromethyl)phenylacetamide 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.3471-3483

347-66-0    84951-44-0   
2-4-(3-cyano-2-pyridinyl)-1-piperazinyl-N-(2-fluorophenyl)acetamide 

[1]Matulenko,MarkA.;Hakeem,AhmedA.;Kolasa,Teodozyi;Nakane,Masaki;Terranova,MarcA.;Uchic,MarieE.;Miller,LoanN.;Chang,Renjie;Donnelly-Roberts,DianaL.;Namovic,MarianT.;Moreland,RobertB.;Brioni,JorgeD.;Stewart,AndrewO.[BioorganicandMedicinalChemistry,2004,vol.12,#13,p.3471-3483]

[2]CurrentPatentAssignee:ABBOTTLABORATORIESINC-US2003/232836,2003,A1Locationinpatent:Page47

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2618-2621

Literature
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Tags:84951-44-0 Molecular Formula|84951-44-0 MDL|84951-44-0 SMILES|84951-44-0 2-Piperazinonicotinonitrile
Catalog No.: AA00G2NJ
84951-44-0,MFCD00190248
84951-44-0 | 2-Piperazinonicotinonitrile
Pack Size: 1g
Purity: 95%
in stock
$32.00 $23.00
Pack Size: 5g
Purity: 95%
in stock
$104.00 $73.00
Pack Size: 25g
Purity: 95%
in stock
$424.00 $297.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00G2NJ
Chemical Name: 2-Piperazinonicotinonitrile
CAS Number: 84951-44-0
Molecular Formula: C10H12N4
Molecular Weight: 188.2291
MDL Number: MFCD00190248
SMILES: C1CN(CCN1)C2=C(C=CC=N2)C#N
Properties
Complexity: 226  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Downstream Synthesis Route
110-85-0    6602-54-6    84951-44-0 

[1]Ishizumi;Kojima;Antoku[ChemicalandPharmaceuticalBulletin,1991,vol.39,#9,p.2288-2300]

[2]CurrentPatentAssignee:EUROCELTIQUES.A.-WO2005/12287,2005,A1Locationinpatent:Page/Pagecolumn92

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US4585773,1986,A

[4]Naz,Huma;Jameel,Ehtesham;Hoda,Nasimul;Shandilya,Ashutosh;Khan,Parvez;Islam,Asimul;Ahmad,Faizan;Jayaram;Hassan,Md.Imtaiyaz[BioorganicandMedicinalChemistryLetters,2016,vol.26,#3,p.782-788]

[5]Saari,WalfredS.;Halczenko,Wasyl;King,StellaW.;Huff,JoelR.;Guare,JamesP.;etal.[JournalofMedicinalChemistry,1983,vol.26,#12,p.1696-1701]

[6]Sun,Qun;Tafesse,Laykea;Islam,Khondaker;Zhou,Xiaoming;Victory,SamF.;Zhang,Chongwu;Hachicha,Mohamed;Schmid,LoriA.;Patel,Aniket;Rotshteyn,Yakov;Valenzano,KennethJ.;Kyle,DonaldJ.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#20,p.3611-3616]

[7]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US4456756,1984,A

[8]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1308439,2003,A1

[9]Locationinpatent:schemeortableSun,Daqing;Wang,Zhulun;Di,Yongmei;Jaen,JuanC.;Labelle,Marc;Ma,Ji;Miao,Shichang;Sudom,Athena;Tang,Liang;Tomooka,CraigS.;Tu,Hua;Ursu,Stefania;Walker,Nigel;Yan,Xuelei;Ye,Qiuping;Powers,JayP.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#12,p.3513-3516]

[10]Maqbool,Mudasir;Manral,Apra;Jameel,Ehtesham;Kumar,Jitendra;Saini,Vikas;Shandilya,Ashutosh;Tiwari,Manisha;Hoda,Nasimul;Jayaram[BioorganicandMedicinalChemistry,2016,vol.24,#12,p.2777-2788]

[11]Kumar,Jitendra;Meena,Poonam;Singh,Anju;Jameel,Ehtesham;Maqbool,Mudasir;Mobashir,Mohammad;Shandilya,Ashutosh;Tiwari,Manisha;Hoda,Nasimul;Jayaram[EuropeanJournalofMedicinalChemistry,2016,vol.119,p.260-277]

[12]Umar,Tarana;Shalini,Shruti;Raza,MdKausar;Gusain,Siddharth;Kumar,Jitendra;Seth,Prerna;Tiwari,Manisha;Hoda,Nasimul[EuropeanJournalofMedicinalChemistry,2019,vol.175,p.2-19]

[13]Singh,Anju;Kalamuddin,Md;Maqbool,Mudasir;Mohmmed,Asif;Malhotra,Pawan;Hoda,Nasimul[BioorganicChemistry,2021,vol.108]

[14]Bojarski,AndrzejJ.;Dehaen,Wim;Janousek,Jiri;Juza,Radomir;Karasova,JanaZdarova;Kobrlova,Tereza;Korabecny,Jan;Kubacka,Monika;Mezeiova,Eva;Mogilski,Szczepan;Musilek,Kamil;Pejchal,Jaroslav;Petrasek,Tomas;Prchal,Lukas;Randakova,Alena;Satala,Grzegorz;Soukup,Ondrej;Stark,Holger;Stefkova-Mazochova,Kristyna;Svozil,Daniel;Vlcek,Premysl;Vojtechova,Iveta[EuropeanJournalofMedicinalChemistry,2022,vol.232]

[15]Bojarski,AndrzejJ.;Dehaen,Wim;Janousek,Jiri;Juza,Radomir;Karasova,JanaZdarova;Kobrlova,Tereza;Korabecny,Jan;Kubacka,Monika;Mezeiova,Eva;Mogilski,Szczepan;Musilek,Kamil;Pejchal,Jaroslav;Petrasek,Tomas;Prchal,Lukas;Randakova,Alena;Satala,Grzegorz;Soukup,Ondrej;Stark,Holger;Stefkova-Mazochova,Kristyna;Svozil,Daniel;Vlcek,Premysl;Vojtechova,Iveta[EuropeanJournalofMedicinalChemistry,2022,vol.232]

17641-08-6    84951-44-0   
2-4-(3-cyano-pyridin-2-yl)-piperazin-1-yl-<i>N</i>-(3-methoxy-phenyl)-acetamide 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.3471-3483

3792-04-9    84951-44-0   
2-4-(3-cyano-2-pyridinyl)-1-piperazinyl-N-2-(trifluoromethyl)phenylacetamide 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.3471-3483

347-66-0    84951-44-0   
2-4-(3-cyano-2-pyridinyl)-1-piperazinyl-N-(2-fluorophenyl)acetamide 

[1]Matulenko,MarkA.;Hakeem,AhmedA.;Kolasa,Teodozyi;Nakane,Masaki;Terranova,MarcA.;Uchic,MarieE.;Miller,LoanN.;Chang,Renjie;Donnelly-Roberts,DianaL.;Namovic,MarianT.;Moreland,RobertB.;Brioni,JorgeD.;Stewart,AndrewO.[BioorganicandMedicinalChemistry,2004,vol.12,#13,p.3471-3483]

[2]CurrentPatentAssignee:ABBOTTLABORATORIESINC-US2003/232836,2003,A1Locationinpatent:Page47

401564-36-1    84951-44-0    401566-62-9 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2618-2621

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