L-745870 hydrochloride - ≥99% , CAS No.1173023-36-3

CAS: 1173023-36-3 Cat. No.: L651029 Molecular Weight: 363.28 PubChem CID: 11957618
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Tox21_500791 | DTXSID101016928 | HY-14325B | NCGC00261476-01 | NCGC00094126-01 | SR-01000075388-1 | L-131 | L-745870 hydrochloride | MS-25773 | SMR001230711 | L-745870 (hydrochloride) | LP00791 | 3-((4-(4-Chlorophenyl)-1-piperazinyl)methyl)-1H-pyrrolo(2,3
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
Size
Status
Price
Qty
1mg
L651029-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$100.90
5mg
L651029-5mg
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$164.90
10mg
L651029-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$280.90
25mg
L651029-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$560.90
50mg
L651029-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$840.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

L-745870 hydrochloride is a potent, selective, brain-penetrant and orally active dopamine D 4 receptor antagonist with a K i of 0.43 nM. L-745870 hydrochloride shows weaker affinity for D 2 ( K i of 960 nM) and D 3 ( K i of 2300 nM) receptors, and exhibits moderate affinity for 5-HT 2 receptors, sigma sites and α-adrenoceptors .

In Vitro

L-745870 is capable of antagonizing the ability of D 4 receptors to inhibit agonist-induced stimulation of [ 35 S]-GTPgS binding; blocking the inhibition of forskolin-stimulated adenylate cyclase activity in transfected human embryonic kidney (HEK293) and Chinese hamster ovary (CHO) cells; blocking dopamine-induced inhibition of Ca 2+ currents in transfected GH4C1 pituitary cells; inhibiting D 4 activation of cloned G protein-coupled inwardly rectifying K + channels; and antagonizing dopamine-induced stimulation of extracellular acidification in transfected cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

L-745870 has good pharmacokinetic properties (20-60% oral bioavailability and plasma t 1/2 2.1-2.8 hours) in both rat and monkey, and excellent brain penetration with high brain to plasma ratios in rat . Following oral administration to squirrel monkeys, L745870 (10 mg/kg p.o.) induces mild sedation and extrapyramidal motor symptoms, notably bradykinesia, became apparent at 30 mg/kg. Lower doses of L-745870 has no observable behavioural effects in monkeys . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms
Tox21_500791 | DTXSID101016928 | HY-14325B | NCGC00261476-01 | NCGC00094126-01 | SR-01000075388-1 | L-131 | L-745870 hydrochloride | MS-25773 | SMR001230711 | L-745870 (hydrochloride) | LP00791 | 3-((4-(4-Chlorophenyl)-1-piperazinyl)methyl)-1H-pyrrolo(2, 3
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
L-745870 hydrochloride is a potent, selective, brain-penetrant and orally active dopamine D 4 receptor antagonist with a K i of 0.43 nM. L-745870 hydrochloride shows weaker affinity for D 2 ( K i of 960 nM) and D 3 ( K i of 2300 nM) receptors, and exhibit
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥99%
Names and Identifiers
Canonical SmilesC1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
InChIKeyGFFJYISJZJIKAF-UHFFFAOYSA-N
INCHI1S/C18H19ClN4.ClH/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);1H
Isomeric SMILES C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl.Cl
Alternate CAS 1173023-36-3
PubChem CID 11957618
Molecular Weight 363.28

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  Pyrrolopyridines  Aniline and substituted anilines  Dialkylarylamines  Aralkylamines  N-alkylpiperazines  Chlorobenzenes  Substituted pyrroles  Pyridines and derivatives  Aryl chlorides  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Hydrochlorides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Pyrrolopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - Aryl chloride - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyridine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrochloride - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DRD4 Tchem D(4) dopamine receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DRD3 Tclin D(3) dopamine receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 32.26 mg/mL (88.80 mM; Need ultrasonic) 0.1 M HCL : 25 mg/mL (68.82 mM; ultrasonic and adjust pH to 3 with HCl)
Molecular Weight363.300 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass362.107 Da
Monoisotopic Mass362.107 Da
Topological Polar Surface Area35.200 Ų
Heavy Atom Count24
Formal Charge0
Complexity377.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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