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35711-47-8,MFCD03031163
Catalog No.:AA00BZ68

35711-47-8 | 2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$978.00   $685.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BZ68
Chemical Name:
2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
CAS Number:
35711-47-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD03031163
SMILES:
O=Cc1cc(n(c1C)c1cccnc1)C
Properties
Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route
902158-15-0    35711-47-8   
6-bromo-2-(E)-2-(2,5-dimethyl-1-pyridin-3-yl-1H-pyrrol-3-yl)-vinyl-1-methyl-quinoliniumtriflate 

[1]CurrentPatentAssignee:ITHERXPHARMACEUTICALS,INC.-WO2006/78754,2006,A1Locationinpatent:Page/Pagecolumn59-60

902158-18-3    35711-47-8   
6-dimethylamino-2-(E)-2-(2,5-dimethyl-1-pyridin-3-yl-1H-pyrrol-3-yl)-vinyl-1-methyl-quinoliniumtriflate 

[1]CurrentPatentAssignee:ITHERXPHARMACEUTICALS,INC.-WO2006/78754,2006,A1Locationinpatent:Page/Pagecolumn55-56

[1]Murugesan,Dinakaran;Mital,Alka;Kaiser,Marcel;Shackleford,DavidM.;Morizzi,Julia;Katneni,Kasiram;Campbell,Michael;Hudson,Alan;Charman,SusanA.;Yeates,Clive;Gilbert,IanH.[JournalofMedicinalChemistry,2013,vol.56,#7,p.2975-2990]

[1]Murugesan,Dinakaran;Mital,Alka;Kaiser,Marcel;Shackleford,DavidM.;Morizzi,Julia;Katneni,Kasiram;Campbell,Michael;Hudson,Alan;Charman,SusanA.;Yeates,Clive;Gilbert,IanH.[JournalofMedicinalChemistry,2013,vol.56,#7,p.2975-2990]

[2]Guardia,Ana;Baiget,Jessica;Cacho,Mónica;Pérez,Arancha;Ortega-Guerra,Montserrat;Nxumalo,Winston;Khanye,SetshabaD.;Rullas,Joaquín;Ortega,Fátima;Jiménez,Elena;Pérez-Herrán,Esther;Fraile-Gabaldón,MaríaTeresa;Esquivias,Jorge;Fernández,Raquel;Porras-DeFrancisco,Esther;Encinas,Lourdes;Alonso,Marta;Giordano,Ilaria;Rivero,Cristina;Miguel-Siles,Juan;Osende,JavierG.;Badiola,KatrinaA.;Rutledge,PeterJ.;Todd,MatthewH.;Remuiñán,Modesto;Alemparte,Carlos[JournalofMedicinalChemistry,2018,vol.61,#24,p.11327-11340]

[3]CurrentPatentAssignee:ALPINEANDROSCIENCES-WO2019/152731,2019,A1

Literature
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Tags:35711-47-8 Molecular Formula|35711-47-8 MDL|35711-47-8 SMILES|35711-47-8 2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
Catalog No.: AA00BZ68
35711-47-8,MFCD03031163
35711-47-8 | 2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
Pack Size： 1g
Purity： 95%
in stock
$245.00 $172.00
Pack Size： 5g
Purity： 95%
in stock
$978.00 $685.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BZ68
Chemical Name: 2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
CAS Number: 35711-47-8
Molecular Formula: C12H12N2O
Molecular Weight: 200.2365
MDL Number: MFCD03031163
SMILES: O=Cc1cc(n(c1C)c1cccnc1)C
Properties
Complexity: 232  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
902158-15-0    35711-47-8   
6-bromo-2-(E)-2-(2,5-dimethyl-1-pyridin-3-yl-1H-pyrrol-3-yl)-vinyl-1-methyl-quinoliniumtriflate 

[1]CurrentPatentAssignee:ITHERXPHARMACEUTICALS,INC.-WO2006/78754,2006,A1Locationinpatent:Page/Pagecolumn59-60

902158-18-3    35711-47-8   
6-dimethylamino-2-(E)-2-(2,5-dimethyl-1-pyridin-3-yl-1H-pyrrol-3-yl)-vinyl-1-methyl-quinoliniumtriflate 

[1]CurrentPatentAssignee:ITHERXPHARMACEUTICALS,INC.-WO2006/78754,2006,A1Locationinpatent:Page/Pagecolumn55-56

65713-63-5    35711-47-8    1428183-62-3 

[1]Murugesan,Dinakaran;Mital,Alka;Kaiser,Marcel;Shackleford,DavidM.;Morizzi,Julia;Katneni,Kasiram;Campbell,Michael;Hudson,Alan;Charman,SusanA.;Yeates,Clive;Gilbert,IanH.[JournalofMedicinalChemistry,2013,vol.56,#7,p.2975-2990]

110-13-4    35711-47-8 

[1]Murugesan,Dinakaran;Mital,Alka;Kaiser,Marcel;Shackleford,DavidM.;Morizzi,Julia;Katneni,Kasiram;Campbell,Michael;Hudson,Alan;Charman,SusanA.;Yeates,Clive;Gilbert,IanH.[JournalofMedicinalChemistry,2013,vol.56,#7,p.2975-2990]

[2]Guardia,Ana;Baiget,Jessica;Cacho,Mónica;Pérez,Arancha;Ortega-Guerra,Montserrat;Nxumalo,Winston;Khanye,SetshabaD.;Rullas,Joaquín;Ortega,Fátima;Jiménez,Elena;Pérez-Herrán,Esther;Fraile-Gabaldón,MaríaTeresa;Esquivias,Jorge;Fernández,Raquel;Porras-DeFrancisco,Esther;Encinas,Lourdes;Alonso,Marta;Giordano,Ilaria;Rivero,Cristina;Miguel-Siles,Juan;Osende,JavierG.;Badiola,KatrinaA.;Rutledge,PeterJ.;Todd,MatthewH.;Remuiñán,Modesto;Alemparte,Carlos[JournalofMedicinalChemistry,2018,vol.61,#24,p.11327-11340]

[3]CurrentPatentAssignee:ALPINEANDROSCIENCES-WO2019/152731,2019,A1

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Submit
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