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1428327-31-4,MFCD28334214
Catalog No.:AA01C134

1428327-31-4 | N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$16.00   $12.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01C134
Chemical Name:
N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
CAS Number:
1428327-31-4
Molecular Formula:
C28H32N4O2S
Molecular Weight:
488.6443
MDL Number:
MFCD28334214
SMILES:
O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
653  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Downstream Synthesis Route

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

Literature

Title: Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567.

Journal: British journal of pharmacology 20131001

Title: The inflammasome: pathways linking psychological stress, depression, and systemic illnesses.

Journal: Brain, behavior, and immunity 20130701

Title: P2X receptors as drug targets.

Journal: Molecular pharmacology 20130401

Title: The role of the innate immune system in psychiatric disorders.

Journal: Molecular and cellular neurosciences 20130301

Title: Neuromodulation by extracellular ATP and P2X receptors in the CNS.

Journal: Neuron 20121004

Title: In vivo P2X7 inhibition reduces amyloid plaques in Alzheimer's disease through GSK3β and secretases.

Journal: Neurobiology of aging 20120801

Title: Inflammation in neurological and psychiatric diseases.

Journal: Inflammopharmacology 20120601

Title: Seizure suppression and neuroprotection by targeting the purinergic P2X7 receptor during status epilepticus in mice.

Journal: FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20120401

Title: P2x7 deficiency suppresses development of experimental autoimmune encephalomyelitis.

Journal: Journal of neuroinflammation 20080101

Title: Disruption of the P2X7 purinoceptor gene abolishes chronic inflammatory and neuropathic pain.

Journal: Pain 20050401

Title: Bhattacharya A, et al. Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. Br J Pharmacol. 2013 Oct;170(3):624-40.

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Tags:1428327-31-4 Molecular Formula|1428327-31-4 MDL|1428327-31-4 SMILES|1428327-31-4 N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
Catalog No.: AA01C134
1428327-31-4,MFCD28334214
1428327-31-4 | N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
Pack Size： 1mg
Purity： 97%
in stock
$16.00 $12.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01C134
Chemical Name: N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
CAS Number: 1428327-31-4
Molecular Formula: C28H32N4O2S
Molecular Weight: 488.6443
MDL Number: MFCD28334214
SMILES: O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1
Properties
Complexity: 653  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 35  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
Downstream Synthesis Route
35620-72-5    1428327-31-4 

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

1428327-30-3    1428327-31-4 

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

92-54-6    1428327-31-4 

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

29943-42-8    1428327-31-4 

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

1157013-41-6    165249-92-3    1428327-31-4 

[1]Letavic,MichaelA.;Lord,Brian;Bischoff,Francois;Hawryluk,NatalieA.;Pieters,Serge;Rech,JasonC.;Sales,Zachary;Velter,AdrianaI.;Ao,Hong;Bonaventure,Pascal;Contreras,Victor;Jiang,Xiaohui;Morton,KirstenL.;Scott,Brian;Wang,Qi;Wickenden,AlanD.;Carruthers,NicholasI.;Bhattacharya,Anindya[ACSMedicinalChemistryLetters,2013,vol.4,#4,p.419-422]

Literature fold

Title: Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567.

Journal: British journal of pharmacology20131001

Title: The inflammasome: pathways linking psychological stress, depression, and systemic illnesses.

Journal: Brain, behavior, and immunity20130701

Title: P2X receptors as drug targets.

Journal: Molecular pharmacology20130401

Title: The role of the innate immune system in psychiatric disorders.

Journal: Molecular and cellular neurosciences20130301

Title: Neuromodulation by extracellular ATP and P2X receptors in the CNS.

Journal: Neuron20121004

Title: In vivo P2X7 inhibition reduces amyloid plaques in Alzheimer's disease through GSK3β and secretases.

Journal: Neurobiology of aging20120801

Title: Inflammation in neurological and psychiatric diseases.

Journal: Inflammopharmacology20120601

Title: Seizure suppression and neuroprotection by targeting the purinergic P2X7 receptor during status epilepticus in mice.

Journal: FASEB journal : official publication of the Federation of American Societies for Experimental Biology20120401

Title: P2x7 deficiency suppresses development of experimental autoimmune encephalomyelitis.

Journal: Journal of neuroinflammation20080101

Title: Disruption of the P2X7 purinoceptor gene abolishes chronic inflammatory and neuropathic pain.

Journal: Pain20050401

Title: Bhattacharya A, et al. Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. Br J Pharmacol. 2013 Oct;170(3):624-40.

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