Tetrahydropiperine - Moligand™,≥98% , CAS No.23434-88-0

CAS: 23434-88-0 Cat. No.: T413235 Formule: C₁₇H₂₃NO₃ Poids moléculaire: 289.37 PubChem CID: 581676

GRADE & PURITY Moligand™, ≥98%

Synonyms

Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]- | SPBio_002501 | HMS3886A15 | 1-[5-(1,3-Benzodioxol-5-yl)pentanoyl]piperidine # | AC-34775 | D11606 | Piperidine, 1-(5-(3,4-(methylenedioxy)phenyl)valeryl)- | SBI-0050336.P004 | Tetrahydropiperin | 5-(

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Tetrahydropiperine (Cosmoperine), derived from piperine, can be used to treat convulsion, epilepsy, relieve pain, and control insects.

Specifications

Synonymes

Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]- | SPBio_002501 | HMS3886A15 | 1-[5-(1,3-Benzodioxol-5-yl)pentanoyl]piperidine # | AC-34775 | D11606 | Piperidine, 1-(5-(3,4-(methylenedioxy)phenyl)valeryl)- | SBI-0050336.P004 | Tetrahydropiperin | 5-(

Spécifications et pureté

Moligand™,≥98%

Mécanismes biochimiques et physiologiques

Tetrahydropiperine (Cosmoperine), derived from piperine, can be used to treat convulsion, epilepsy, relieve pain, and control insects.

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.

Grade

Moligand™

Pureté

≥98%

Propriétés du produit

• ALogP: 3.332
• Liaison rotative: 5

Noms et identifiants

• Pubchem Sid: 504759356
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759356
• Sourires canoniques: C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentan-1-one
• InChIKey: APZYKUZPJCQGPP-UHFFFAOYSA-N
• INCHI: 1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2
• Isomères SMILES: C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3
• PubChem CID: 581676
• Poids moléculaire: 289.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: N-acylpiperidines Benzenoids Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - N-acyl-piperidine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Acetal - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (1 Activities)

Discover Target: TRPV1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Cibles associées (non humaines)

Trypanosoma cruzi (99888 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 58 mg/mL (200.43 mM); Ethanol: 58 mg/mL (200.43 mM); Water: Insoluble
• Sensibilité: light sensitive
• DMSO (mg/mL) Solubilité maximale: 57
• DMSO (mM) Solubilité maximale: 196.979645436638
• Poids moléculaire: 289.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 289.168 Da
• Monoisotopic Mass: 289.168 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 341.000
• 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