L-745870

CAT: 0804-HY-14325-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-14325-01Size:5 mg

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Description

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

12352005

Hazard Statement

H302, H315, H319, H335

Target

Dopamine Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/l-745870.html

Purity

99.92

Solubility

DMSO : 25 mg/mL (ultrasonic)

Smiles

ClC(C=C1)=CC=C1N(CC2)CCN2CC3=CNC4=NC=CC=C43

Molecular Formula

C18H19ClN4

Molecular Weight

326.82

Precautions

H302, H315, H319, H335

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

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

D2 Receptor; D3 Receptor; D4 Receptor

Citation 01

Br J Cancer. 2024 Oct;131 (7) :1212-1223.|Research Square Preprint. 2023 Oct 3.|Psychopharmacology (Berl) . 2022 Nov;239 (11) :3551-3565.

Chemical Information

L-745870

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

CAS Number	158985-00-3
PubChem CID	5311200
IUPAC Name	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular Formula	C18H19ClN4
Molecular Weight	326.8
XLogP	3.4
Topological Polar Surface Area	35.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	377

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

CAS: 158985-00-3

CID: 5311200

Formula: C18H19ClN4

MW: 326.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	326.8
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	326.1298243
Monoisotopic Mass	326.1298243
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	377
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19205669-01	L-745870
GTR19174019-01	L-745870 trihydrochloride
GTR19177175-01	L-745870 hydrochloride
217502	L-745,870 Trihydrochloride (Dopamine D4 Receptor Antagonist, L-745,870 Trihydrochloride, L-745870, L745870)
CCP1053-01	A-L-A-L
453309-01	L-Glycyl-L-lysyl-L-leucyl-L-isoleucyl-L-tyrosyl-L-seryl-L-alanyl-L-seryl-L-phenylalanyl-L-leucyl-L-tyrosyl-L-seryl-L-glycyl-L-valyl-L-prolyl-L-seryl-L-arganine
453434-01	L-Seryl-L-threonyl-L-glycyl-L-isoleucyl-L-seryl-L-valyl-L-prolyl-L-glycyl-L-prolyl-L-methionyl-L-glycyl-L-prolyl-L-seryl-L-glycyl-L-prolyl-L-Arginine
JH918176	L-Arginine, L-valyl-L-seryl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginylglycylglycyl-L-arginyl-L-arginyl-L-arginyl-

L-745870

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