(3-ethoxy-6-methylpyridin-2-yl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone - Moligand™ , CAS No.E609305

CAS: E609305 Cat. No.: E609305 PubChem CID: 46218798
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
SORA1 | compound 56
Storage
Room temperature
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Size
Status
Price
Qty
5mg
E609305-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
E609305-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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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
SORA1 | compound 56
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Names and Identifiers
Canonical SmilesCCOC1=C(N=C(C=C1)C)C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNC4=NC=C(C=N4)C(F)(F)F
IUPAC Name(3-ethoxy-6-methylpyridin-2-yl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
InChIKeyMJEJGMUTGRYQJO-YCPHGPKFSA-N
INCHI1S/C21H24F3N5O2/c1-3-31-17-5-4-12(2)28-18(17)19(30)29-11-14-6-13(14)7-16(29)10-27-20-25-8-15(9-26-20)21(22,23)24/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3,(H,25,26,27)/t13-,14+,16+/m1/s1
Isomeric SMILES CCOC1=C(N=C(C=C1)C)C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNC4=NC=C(C=N4)C(F)(F)F
PubChem CID 46218798

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 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
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids and derivatives
Alternative Parents N-acylpiperidines  2-heteroaryl carboxamides  Secondary alkylarylamines  Alkyl aryl ethers  Methylpyridines  Azepanes  Aminopyrimidines and derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Tertiary amines  Amino acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Alkyl fluorides  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-acyl-piperidine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Aminopyrimidine - Azepane - Methylpyridine - Secondary aliphatic/aromatic amine - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Alkyl halide - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HCRTR1 Tclin Orexin receptor 1 (5435 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:
Solution Calculators
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