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PD-144418 - Moligand™ , Antagonist of σ2;Antagonist of sigma non-opioid intracellular receptor 1, CAS No.P612651, Antagonist of σ2;Antagonist of sigma non-opioid intracellular receptor 1

CAS: P612651 Cat. No.: P612651 PubChem CID: 9817231
COA
PD-144418 - Moligand™ , Antagonist of σ2;Antagonist of sigma non-opioid intracellular receptor 1, CAS No.P612651, Antagonist of σ2;Antagonist of sigma non-opioid intracellular receptor 1
AVAILABLE TO ORDER
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
FV9595VZB7 | 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole | Pyridine, 1,2,3,6-tetrahydro-5-(3-(4-methylphenyl)-5-isoxazolyl)-1-propyl- | 1,2,3,6-Tetrahydro-5-(3-(4-methylphenyl)-5-isoxazolyl)-1-propylpyridine | 5-(1-Propyl-1,2,5
Storage
Room temperature
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Size
Status
Price
Qty
5mg
P612651-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
P612651-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,001.90
Save $287.00 (14.34%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

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

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Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
FV9595VZB7 | 3-(4-methylphenyl)-5-(1-propyl-3, 6-dihydro-2H-pyridin-5-yl)-1, 2-oxazole | Pyridine, 1, 2, 3, 6-tetrahydro-5-(3-(4-methylphenyl)-5-isoxazolyl)-1-propyl- | 1, 2, 3, 6-Tetrahydro-5-(3-(4-methylphenyl)-5-isoxazolyl)-1-propylpyridine | 5-(1-Propyl-1, 2, 5
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of σ2;Antagonist of sigma non-opioid intracellular receptor 1
Names and Identifiers
Canonical SmilesCCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C
InChIKeyFOQRKFCLRMMKAT-UHFFFAOYSA-N
INCHI1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3
Isomeric SMILES CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C
PubChem CID 9817231

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Hydropyridines  Isoxazoles  Heteroaromatic compounds  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Toluene - Hydropyridine - Azole - Isoxazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TMEM97 Tchem Sigma intracellular receptor 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIGMAR1 Sigma-1 receptor (3326 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tmem97 Sigma intracellular receptor 2 (922 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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
Molecular Weight282.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass282.173 Da
Monoisotopic Mass282.173 Da
Topological Polar Surface Area29.300 Ų
Heavy Atom Count21
Formal Charge0
Complexity360.000
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 Count1
Solution Calculators
Reviews

Customer Reviews

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sigma non-opioid intracellular receptor 1 Antagonist (6) σ2 Antagonist (1)
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