RO5166017 - Moligand™ , Agonist of TA 1 receptor, CAS No.1048346-74-2, Agonist of TA 1 receptor

CAS: 1048346-74-2 Cat. No.: R613252 Molecular Weight: 219.28 PubChem CID: 25016538
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
BDBM50158431 | UNII-YK98JFQ52U | AS-43509 | RO5166017 | RO-5166017 | GTPL5862 | MFCD22493512 | 4-Oxazolemethanamine, 2-amino-N-ethyl-4,5-dihydro-N-phenyl-, (4S)- | Q7277303 | (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine | (4S)-4-[(N-et
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
R613252-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$185.90

$237.90
Save $52.00 (21.86%)
25mg
R613252-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$830.90
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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
BDBM50158431 | UNII-YK98JFQ52U | AS-43509 | RO5166017 | RO-5166017 | GTPL5862 | MFCD22493512 | 4-Oxazolemethanamine, 2-amino-N-ethyl-4, 5-dihydro-N-phenyl-, (4S)- | Q7277303 | (S)-4-[(ethyl-phenyl-amino)-methyl]-4, 5-dihydro-oxazol-2-ylamine | (4S)-4-[(N-et
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of TA 1 receptor
Names and Identifiers
Canonical SmilesCCN(CC1COC(=N1)N)C2=CC=CC=C2
IUPAC Name(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
InChIKeyPPONHQQJLWPUPH-JTQLQIEISA-N
INCHI1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1
Isomeric SMILES CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2
PubChem CID 25016538
Molecular Weight 219.28

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines
Direct ParentDialkylarylamines
Alternative Parents Aniline and substituted anilines  Oxazolines  Isoureas  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Carboximidamides  Azacyclic compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Oxazoline - Isourea - Oxacycle - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TAAR1 Tclin Trace amine-associated receptor 1 (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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 Weight219.280 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass219.137 Da
Monoisotopic Mass219.137 Da
Topological Polar Surface Area50.900 Ų
Heavy Atom Count16
Formal Charge0
Complexity249.000
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
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