PNU109291 - Moligand™ , Agonist of 5-HT 1D receptor, CAS No.187665-60-7, Agonist of 5-HT 1D receptor

CAS: 187665-60-7 Cat. No.: P612886 Formula: C24H31N3O3 Peso molecolare: 409.52 PubChem CID: 9909448
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
(-)-PNU-109291 | (S)-1-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)ethyl)-N-methylisochromane-6-carboxamide | NCGC00378655-01 | PNU-109,291 | 1H-2-BENZOPYRAN-6-CARBOXAMIDE, 3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-, (1S)- | HY-103132
Storage
Room temperature
★
Size
Germania (EU)
USA*
Price
Qty
5mg
P612886-5mg
Su ordinazione · 8–12 settimane
1.048,14€
25mg
P612886-25mg
Su ordinazione · 8–12 settimane
1.488,09€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinonimi
(-)-PNU-109291 | (S)-1-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)ethyl)-N-methylisochromane-6-carboxamide | NCGC00378655-01 | PNU-109,291 | 1H-2-BENZOPYRAN-6-CARBOXAMIDE, 3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-, (1S)- | HY-103132
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Moligand™
Tipo di azione
AGONIST
Meccanismo d'azione
Agonist of 5-HT 1D receptor
Nomi e identificatori
Sorrisi canonici
CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC
IUPAC Name
(1S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
InChIKey
UDLSEQDYARNKTL-QHCPKHFHSA-N
INCHI
1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
Isomeri SMILES
CNC(=O)C1=CC2=C(C=C1)[C@@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC
PubChem CID
9909448
Peso molecolare
409.52

Documentazione

📋 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
ClasseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  2-benzopyrans  Aminophenyl ethers  Methoxyanilines  Anisoles  Dialkylarylamines  Phenoxy compounds  Methoxybenzenes  Alkyl aryl ethers  Aralkylamines  N-alkylpiperazines  Amino acids and derivatives  Trialkylamines  Secondary carboxylic acid amides  Dialkyl ethers  Azacyclic compounds  Oxacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - 2-benzopyran - Isochromane - Benzopyran - Methoxyaniline - Aminophenyl ether - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
HTR1D Tclin 5-hydroxytryptamine receptor 1D (2 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
HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare409.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass409.237 Da
Monoisotopic Mass409.237 Da
Topological Polar Surface Area54.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity544.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

How should this product be stored?
Store at room temperature.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 187665-60-7, the molecular formula is C24H31N3O3, and the molecular weight is 409.52 g/mol. InChIKey UDLSEQDYARNKTL-QHCPKHFHSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.