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L-745870 (Standard)

CAT: 0804-HY-14325RSize: 1 EachDry Ice: NoHazardous: No
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Description
L-745870 (Standard) is the analytical standard of L-745870. This product is intended for research and analytical applications. L-745870 is a potent, selective, brain-penetrant and orally active dopamine D4 receptor antagonist with a Ki of 0.43 nM. L-745870 shows weaker affinity for D2 (Ki of 960 nM) and D3 (Ki of 2300 nM) receptors, and exhibits moderate affinity for 5-HT2 receptors, sigma sites and α-adrenoceptors[1][2][3].
CAS Number
158985-00-3
UNSPSC
12352100
Target
Dopamine Receptor; Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Smiles
ClC(C=C1)=CC=C1N(CC2)CCN2CC3=CNC4=NC=CC=C43
Molecular Formula
C18H19ClN4
Molecular Weight
326.82
References & Citations
[1]Bristow LJ, et al. Schizophrenia and L-745,870, a novel dopamine D4 receptor antagonist. Trends Pharmacol Sci. 1997 Jun;18 (6) :186-8.|[2]Patel S, et al. Biological profile of L-745,870, a selective antagonist with high affinity for the dopamine D4 receptor. J Pharmacol Exp Ther. 1997 Nov;283 (2) :636-47.|[3]Kulagowski JJ, et al. 3- ((4- (4-Chlorophenyl) piperazin-1-yl) -methyl) -1H-pyrrolo-2,3-b-pyridine: an antagonist with high affinity and selectivity for the human dopamine D4 receptor. J Med Chem. 1996 May 10;39 (10) :1941-2.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

L-745870

3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is a member of piperazines.

CAS Number158985-00-3
PubChem CID5311200
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC18H19ClN4
Molecular Weight326.8
XLogP3.4
Topological Polar Surface Area35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity377
SMILES
C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
InChIKey
OGJGQVFWEPNYSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-745870
CAS: 158985-00-3
CID: 5311200
Formula: C18H19ClN4
MW: 326.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass326.1298243
Monoisotopic Mass326.1298243
Topological Polar Surface Area35.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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