Tetrahydroberberine - 10mM in DMSO , CAS No.522-97-4

Name: Tetrahydroberberine - 10mM in DMSO , CAS No.522-97-4
Brand: Aladdin Scientific
SKU: T424486
Availability: InStock

CAS: 522-97-4 Cat. No.: T424486 Summenformel: C₂₀H₂₁NO₄ Molekulargewicht: 339.39 EG-Nummer: 208-338-2 PubChem CID: 34458

COA

Zum Ende der Bildgalerie springen

Tetrahydroberberine - 10mM in DMSO CAS No(522-97-4) by Aladdin Scientific

Zum Anfang der Bildgalerie springen

Zu bestellen verfügbar

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht Spezifikationen Produkteigenschaften Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

🧪

Warum diese Qualität

10mM in DMSO für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

🌡

Lagerung & Versand

Store at -80°C Versand Dry ice packs + Cold packs. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

📋

Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

📚

Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

Information

Tetrahydroberberine (Canadine) is an isoquinoline alkaloid with micromolar affinity fordopamine D2(antagonist, pKi = 6.08) and5-HT1A(agonist, pKi = 5.38) receptors but moderate to no affinity for other relevant serotonin receptors.

Targets

D2 receptor ; 5-HT1A 6.08(pKi); 5.38(pKi)

In vivo

Oral administration of THB not only resulted in significantly accelerated gastric emptying of normal rats in a bell-shaped relationship, with a maximal efficacy at a dose of 30 μg/kg, but also restored the delayed gastric emptying caused by apomorphine, which might be mediated by an antidopaminergic effect.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Tetrahydroberberine (Canadine) is an isoquinoline alkaloid with micromolar affinity for dopamine D2 (antagonist, pKi = 6.08) and 5-HT1A (agonist, pKi = 5.38) receptors but moderate to no affinity for other relevant serotonin receptors.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

3.4

Rotationsfähige Bindung

Namen und Kennungen

Pubchem Sid

528771071

Kanonisches Lächeln

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC

IUPAC Name

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene

InChIKey

VZTUIEROBZXUFA-UHFFFAOYSA-N

INCHI

1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3

Isomere SMILES

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC

PubChem CID

34458

Molekulargewicht

339.39

Dokumentation

📋 Sicherheitsdatenblatt (SDS)

Umfassendes Dokument zu Gefahren, Handhabung, Lagerung und Einhaltung regulatorischer Vorschriften.

<<<<<<< HEAD SDS herunterladen → ======= SDS herunterladen → >>>>>>> release248-p3

✅ Analysezertifikat (COA)

Chargenspezifische Qualitätsdaten. Geben Sie Ihre Chargennummer ein, um das genaue COA abzurufen.

COA nachschlagen →

📊 Datenblatt

Kurzübersicht über Produktspezifikationen und Anwendungen.

Datenblatt ansehen →

🔬 Spezifikationsblatt

Vollständige Qualitätsmerkmale und Akzeptanzkriterien für diese Qualität.

Spezifikationsblatt ansehen →

Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Klasse Protoberberine alkaloids and derivatives

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Klasse	Protoberberine alkaloids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Protoberberine alkaloids and derivatives
Alternative Parents	Tetrahydroisoquinolines Benzodioxoles Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
External Descriptors	a small molecule
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

3D-Struktur

Zugehörige Ziele (menschlich)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

Discover Target: CYP2D6

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

F3 Tclin Tissue factor (1 Activities)

Discover Target: F3

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

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

A498 (42825 Activities)

DMSO (mg/ml) Maximale Löslichkeit	6
DMSO (mM) Maximale Löslichkeit	17.6787766286573
Molekulargewicht	339.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	339.147 Da
Monoisotopic Mass	339.147 Da
Topological Polar Surface Area	40.200 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	488.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1