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NGD 94-1 (dimaleate)

CAT: 0804-HY-103405ASize: 1 EachDry Ice: NoHazardous: No
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Description
NGD 94-1 (dimaleate) is a potent and selective dopamine D4 receptor antagonist. NGD 94-1 (dimaleate) shows high affinity for the cloned human D4.2 receptor (Ki = 3.6 nM) . NGD 94-1 (dimaleate) modulates the cognitive functions of the frontostriatal system and regulates dopaminergic transmission in Phencyclidine (PCP) -induced monkeys. NGD 94-1 (dimaleate) can be used for neurological disease research[1][2].
CAS Number
179333-18-7
UNSPSC
12352005
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
O=C(O)/C=C\C(O)=O.O=C(O)/C=C\C(O)=O.C1(N2CCN(CC3=CN=C(C4=CC=CC=C4)N3)CC2)=NC=CC=N1
Molecular Formula
C26H28N6O8
Molecular Weight
552.54
References & Citations
[1]Jentsch JD, et al. Dopamine D4 receptor antagonist reversal of subchronic phencyclidine-induced object retrieval/detour deficits in monkeys. Psychopharmacology (Berl) . 1999 Feb;142 (1) :78-84.|[2]Tallman JF, et al. I. NGD 94-1: identification of a novel, high-affinity antagonist at the human dopamine D4 receptor. J Pharmacol Exp Ther. 1997 Aug;282 (2) :1011-9.|[3]Gazi L, et al. NGD 94-1 as an agonist at human recombinant dopamine D4.4 receptors expressed in HEK293 cells. Eur J Pharmacol. 1999 May 21;372 (3) :R9-10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
D4 Receptor

Chemical Information

2-Phenyl-5-(4-((2-pyrimidinyl)-piperazin-1-yl)-methyl)-imidazole dimaleate
CAS Number179333-18-7
PubChem CID9893821
IUPAC Namebis((Z)-but-2-enedioic acid);2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
Molecular FormulaC26H28N6O8
Molecular Weight552.5
Topological Polar Surface Area210
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity491
SMILES
C1N(CCN(C1)C2=NC=CC=N2)CC3=CN=C(N3)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C18H20N6.2C4H4O4/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18;2*5-3(6)1-2-4(7)8/h1-8,13H,9-12,14H2,(H,21,22);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
CEFBXMNJODPQHJ-SPIKMXEPSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-5-(4-((2-pyrimidinyl)-piperazin-1-yl)-methyl)-imidazole dimaleate
CAS: 179333-18-7
CID: 9893821
Formula: C26H28N6O8
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass552.19686187
Monoisotopic Mass552.19686187
Topological Polar Surface Area210 Ų
Heavy Atom Count40
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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