WAY-312566 - ≥98% , CAS No.297182-53-7

CAS: 297182-53-7 Cat. No.: W416931 Formule: C₁₄H₂₀N₂O₃S Poids moléculaire: 296.39 PubChem CID: 698635

GRADE & PURITY ≥98%

Synonyms

ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate | ethyl 2-amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carboxylate

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

ATP-utilizing enzyme inhibitory activity; 11b-hydroxysteroid dehydrogenase type 1 inhibitor; 11b-hydroxysteroid dehydrogenase type 1 inhibitor; modulating the activity of 11b-hydroxysteroid dehydrogenase type 1 (11bHSD1).

Specifications

Synonymes

ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate | ethyl 2-amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carboxylate

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: 2.182
• Nombre de HBD: 1
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 488191180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191180
• Sourires canoniques: CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)N
• IUPAC Name: ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
• InChIKey: WXWBQJRIFVEWGT-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O3S/c1-3-19-14(18)10-9(2)11(20-12(10)15)13(17)16-7-5-4-6-8-16/h3-8,15H2,1-2H3
• Isomères SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)N
• PubChem CID: 698635
• Poids moléculaire: 296.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpiperidines
• Alternative Parents: 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - 3,4,5-trisubstituted-2-aminothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-aminothiophene - Tertiary carboxylic acid amide - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 296.390 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 296.119 Da
• Monoisotopic Mass: 296.119 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 371.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 297182-53-7, the molecular formula is C14H20N2O3S, and the molecular weight is 296.39 g/mol. InChIKey WXWBQJRIFVEWGT-UHFFFAOYSA-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.