A-85380 - Moligand™ , CAS No.161416-98-4

CAS: 161416-98-4 Cat. No.: A607309 PubChem CID: 5310969
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
(S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE | A85380 | A-85380 | Q27074089 | 3-[[(2S)-azetidin-2-yl]methoxy]pyridine | 3-(2(s)-azetidinylmethoxy)pyridine | BDBM50049750 | GTPL5460 | NCGC00387223-01 | Pyridine, 3-(2-azetidinylmethoxy)-, (S)- | SCHEMBL676026 | A-1
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A607309-5mg
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
A607309-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,900.90
Enter a quantity for the sizes you want to add.
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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

Synonyms
(S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE | A85380 | A-85380 | Q27074089 | 3-[[(2S)-azetidin-2-yl]methoxy]pyridine | 3-(2(s)-azetidinylmethoxy)pyridine | BDBM50049750 | GTPL5460 | NCGC00387223-01 | Pyridine, 3-(2-azetidinylmethoxy)-, (S)- | SCHEMBL676026 | A-1
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Names and Identifiers
Canonical SmilesC1C[C@H](N1)COc1cccnc1
IUPAC Name3-[(2S)-azetidin-2-ylmethoxy]pyridine
InChIKeyXKFMBGWHHBCWCD-QMMMGPOBSA-N
INCHI1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
Isomeric SMILES C1CN[C@@H]1COC2=CN=CC=C2
PubChem CID 5310969

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentAlkyl aryl ethers
Alternative Parents Pyridines and derivatives  Heteroaromatic compounds  Azetidines  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRNA3 Tclin Neuronal acetylcholine receptor subunit alpha-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA1 Tclin Acetylcholine receptor protein alpha chain (98 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA3 Tclin Neuronal acetylcholine receptor subunit alpha-3 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IMR-32 (1082 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K177 cell line (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA1 Tclin Acetylcholine receptor; alpha1/beta1/delta/gamma (501 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNB4 Tclin Neuronal acetylcholine receptor; alpha4/beta4 (276 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna3 Neuronal acetylcholine receptor; alpha3/beta2 (421 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna2 Neuronal acetylcholine receptor; alpha2/beta2 (198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna3 Neuronal acetylcholine receptor; alpha3/beta4 (1368 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 Weight164.200 g/mol
XLogP30.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass164.095 Da
Monoisotopic Mass164.095 Da
Topological Polar Surface Area34.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity140.000
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
Solution Calculators
Reviews

Customer Reviews

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