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1127498-03-6,MFCD22572363
Catalog No.:AA008TEC

1127498-03-6 | JNJ-40411813

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
1 week  
$168.00   $118.00
- +
5mg
95%
1 week  
$340.00   $238.00
- +
10mg
95%
1 week  
$507.00   $355.00
- +
25mg
95%
1 week  
$810.00   $567.00
- +
50mg
95%
1 week  
$1,128.00   $790.00
- +
100mg
95%
1 week  
$1,509.00   $1,056.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008TEC
Chemical Name:
JNJ-40411813
CAS Number:
1127498-03-6
Molecular Formula:
C20H25ClN2O
Molecular Weight:
344.8783
MDL Number:
MFCD22572363
SMILES:
CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
500  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ADDEXTHERAPEUTICSSA;JOHNSON&JOHNSONINC-WO2009/33704,2009,A1Locationinpatent:Page/Pagecolumn44

[2]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

Literature

Title: Pharmacological and pharmacokinetic properties of JNJ-40411813, a positive allosteric modulator of the mGlu2 receptor.

Journal: Pharmacology research & perspectives 20150201

Title: Cid JM, et al. Discovery of 1-Butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): A Novel Positive Allosteric Modulator of the Metabotropic Glutamate 2 Receptor. J Med Chem. 2014 Aug 14;57(15):6495-512.

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SDS
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Tags:1127498-03-6 Molecular Formula|1127498-03-6 MDL|1127498-03-6 SMILES|1127498-03-6 JNJ-40411813
Catalog No.: AA008TEC
1127498-03-6,MFCD22572363
1127498-03-6 | JNJ-40411813
Pack Size： 1mg
Purity： 95%
1 week
$168.00 $118.00
Pack Size： 5mg
Purity： 95%
1 week
$340.00 $238.00
Pack Size： 10mg
Purity： 95%
1 week
$507.00 $355.00
Pack Size： 25mg
Purity： 95%
1 week
$810.00 $567.00
Pack Size： 50mg
Purity： 95%
1 week
$1,128.00 $790.00
Pack Size： 100mg
Purity： 95%
1 week
$1,509.00 $1,056.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA008TEC
Chemical Name: JNJ-40411813
CAS Number: 1127498-03-6
Molecular Formula: C20H25ClN2O
Molecular Weight: 344.8783
MDL Number: MFCD22572363
SMILES: CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1
Properties
Complexity: 500  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
Downstream Synthesis Route
1127499-59-5    1127498-03-6 

[1]CurrentPatentAssignee:ADDEXTHERAPEUTICSSA;JOHNSON&JOHNSONINC-WO2009/33704,2009,A1Locationinpatent:Page/Pagecolumn44

[2]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

53937-02-3    1127498-03-6 

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

1127499-19-7    1127498-03-6 

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

1127499-16-4    1127498-03-6 

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

1127499-22-2    1127498-03-6 

[1]Cid,JoséMaría;Tresadern,Gary;Duvey,Guillaume;Lütjens,Robert;Finn,Terry;Rocher,Jean-Philippe;Poli,Sonia;Vega,JuanAntonio;DeLucas,AnaIsabel;Matesanz,Encarnación;Linares,MaríaLourdes;Andrés,JoséIgnacio;Alcazar,Jesús;Alonso,JoséManuel;Macdonald,GregorJ.;Oehlrich,Daniel;Lavreysen,Hilde;Ahnaou,Abdelah;Drinkenburg,Wilhelmus;Mackie,Claire;Pype,Stefan;Gallacher,David;Trabanco,AndrésA.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6495-6512]

Literature fold

Title: Pharmacological and pharmacokinetic properties of JNJ-40411813, a positive allosteric modulator of the mGlu2 receptor.

Journal: Pharmacology research & perspectives20150201

Title: Cid JM, et al. Discovery of 1-Butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): A Novel Positive Allosteric Modulator of the Metabotropic Glutamate 2 Receptor. J Med Chem. 2014 Aug 14;57(15):6495-512.

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