N-((4-(2-Cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide maleate

Base Information

• Chemical Name: N-((4-(2-Cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide maleate
• CAS No.: 630117-19-0
• Molecular Formula: C20H22N4O.C4H4O4
• Molecular Weight: 450.48700
• UNII: 9YX2UJ5W5P
• DSSTox Substance ID: DTXSID1042601
• ChEMBL ID: CHEMBL1256874
• Mol file: 630117-19-0.mol

Synonyms:PD 168077 maleate;630117-19-0;PD-168077 maleate;N-((4-(2-Cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide maleate;PD 168,077 maleate;190383-31-4;PD168077 Maleate;9YX2UJ5W5P;PD 168,077 maleate salt;N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide;(Z)-but-2-enedioic acid;N-(Methyl-4-(2-cyanophenyl)piperazinyl-3-methylbenzamide maleate;N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamidemaleate;Benzamide, N-((4-(2-cyanophenyl)-1-piperazinyl)methyl)-3-methyl-, (2Z)-2-butenedioate (1:1);SR-01000075374;PD 168 077 MALEATE;MFCD01321067;EU-0100969;UNII-9YX2UJ5W5P;CHEMBL1256874;DTXSID1042601;HMS3263A19;HMS3414K03;HMS3678K03;Tox21_500969;HY-21098A;PD 168,077 maleate salt, powder;AKOS024256763;CCG-222273;LP00969;NCGC00094269-01;NCGC00261654-01;AC-36863;AS-56834;CS-0021242;P-233;J-012293;SR-01000075374-1;SR-01000075374-3;N-[[4-(2-Cyanophenyl)-1-piperazinyl]methyl]-3-methyl-benzamide maleate;(2Z)-but-2-enedioic acid;N-{[4-(2-cyanophenyl)piperazin-1-yl]methyl}-3-methylbenzamide;N-((4-(2-Cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide (2Z)-2-butenedioate (1:1);N-{[4-(2-cyanophenyl)piperazin-1-yl]methyl}-3-methylbenzamide (2Z)-but-2-enedioate

Chemical Property of N-((4-(2-Cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide maleate

Chemical Property:

• PSA: 133.97000
• LogP: 2.48178
• Storage Temp.: Desiccate at -20°C
• Solubility.: DMSO: >10 mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 450.19031994
• Heavy Atom Count: 33
• Complexity: 610

Purity/Quality:

99.3% ^*data from raw suppliers

PD 168077 maleate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=C\C(=O)O)\C(=O)O
• Description: PD 168077 is a dopamine D4 receptor agonist (Ki = 8.7 nM in CHO Pro 5 cells expressing the human receptor). It is selective for dopamine D4 over D2 and D3 receptors (Kis = 3,740 and 2,810 nM, respectively), as well as α1- and α2-adrenergic and serotonin (5-HT) receptor subtypes 5-HT1A and 5-HT2A (Kis = 168, 177, 385, and 4,010 nM, respectively). PD 168077 (20 μM) induces CaMKII translocation from the dendritic shaft to postsynaptic sites on the dendritic processes of primary rat embryonic prefrontal cortex pyramidal neurons, an effect that can be blocked by the IP3 receptor antagonist 2APB or the calcium chelator BAPTA AM . PD 168077 (50-200 ng/animal) induces penile erections in rats when injected into the paraventricular nucleus (PVN) of the hypothalamus. PD 168077 (0.2-25 mg/kg, s.c.) increases spontaneous locomotor activity and reduces grooming and rearing in rats.