ADDA 5 hydrochloride - ≥98% , CAS No.473268-46-1

CAS: 473268-46-1 Cat. No.: A647854 Summenformel: C₂₄H₃₆ClNO₂ Molekulargewicht: 406 PubChem CID: 2882960

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

ADDA 5 hydrochloride is a partial non-competitive inhibitor of cytochrome c oxidase (CcO) , with IC 50 s of 18.93 μM and 31.82 μM for purified CcO from human glioma and bovine heart, respectively.

In Vitro

ADDA 5 hydrochloride is a partial non-competitive inhibitor of CcO, with IC 50 s of 18.93 μM and 31.82 μM for purified CcO from human glioma and bovine heart, respectively. ADDA 5 inhibits CcO activity in UTMZ and Jx22-derived GSCs, with IC 50 s of 21.4 ± 3.9 μM and 15.5 ± 2.8 μM. ADDA 5 (25 μM) shows a growth inhibitory effect on UTMZ cells, with an EC 50 of 8.17 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ADDA 5 (8 mg/kg, i.p.) significantly suppresses the growth of tumor in mice. ADDA 5 does not causes detectable toxicity at up to 80 mg/kg in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 18.93 μM (CcO, human glioma), 31.82 μM (CcO, bovine heart)

Specifications

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

ADDA 5 hydrochloride is a partial non-competitive inhibitor of cytochrome c oxidase (CcO) , with IC 50 s of 18.93 μM and 31.82 μM for purified CcO from human glioma and bovine heart, respectively.

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1CN(CC2=CC=CC=C21)CC(COCCC34CC5CC(C3)CC(C5)C4)O.Cl

IUPAC Name

1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride

InChIKey

YZSRZEWBOXEFRJ-UHFFFAOYSA-N

INCHI

1S/C24H35NO2.ClH/c26-23(16-25-7-5-21-3-1-2-4-22(21)15-25)17-27-8-6-24-12-18-9-19(13-24)11-20(10-18)14-24;/h1-4,18-20,23,26H,5-17H2;1H

Isomere SMILES

C1CN(CC2=CC=CC=C21)CC(COCCC34CC5CC(C3)CC(C5)C4)O.Cl

PubChem CID

2882960

Molekulargewicht

406

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Aralkylamines Benzenoids Trialkylamines Secondary alcohols 1,2-aminoalcohols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Aralkylamine - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 65 mg/mL (160.10 mM; Need ultrasonic) H2O : 2 mg/mL (4.93 mM; ultrasonic and warming and heat to 60°C)
• Molekulargewicht: 406.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 405.243 Da
• Monoisotopic Mass: 405.243 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 465.000
• 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: 2

XLogP3

Häufig gestellte Fragen

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 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. 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 473268-46-1, the molecular formula is C24H36ClNO2, and the molecular weight is 406 g/mol. InChIKey YZSRZEWBOXEFRJ-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.