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1802326-66-4,MFCD29924732
Catalog No.:AA0021QD

1802326-66-4 | JNJ-63533054

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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
≥98%
in stock  
$133.00   $93.00
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10mg
99%
in stock  
$234.00   $164.00
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50mg
99%
in stock  
$667.00   $467.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0021QD
Chemical Name:
JNJ-63533054
CAS Number:
1802326-66-4
Molecular Formula:
C17H17ClN2O2
Molecular Weight:
316.7821
MDL Number:
MFCD29924732
SMILES:
O=C(N[C@H](c1ccccc1)C)CNC(=O)c1cccc(c1)Cl
Properties
Computed Properties
 
Complexity:
383  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[1]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[2]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[1]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[2]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[1]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

[1]Dvorak,CurtA.;Coate,Heather;Nepomuceno,Diane;Wennerholm,Michelle;Kuei,Chester;Lord,Brian;Woody,David;Bonaventure,Pascal;Liu,Changlu;Lovenberg,Timothy;Carruthers,NicholasI.[ACSMedicinalChemistryLetters,2015,vol.6,#9,p.1015-1018]

Literature

Title: GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine.

Journal: Molecular pharmacology 20151101

Title: Liu C, et al. GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine. Mol Pharmacol. 2015 Nov;88(5):911-25.

Title: Dvorak CA, et al. Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. ACS Med Chem Lett. 2015 Jul 20;6(9):1015-8.

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