Eprenetapopt , CAS No.5291-32-7

CAS: 5291-32-7 Cat. No.: E1372315-GMP Summenformel: C₁₀H₁₇NO₃ Molekulargewicht: 199.25 EG-Nummer: 110-914-2

Storage

Room temperature

Shipped In

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Übersicht

Eprenetapopt (GMP) (APR-246(GMP)) is Eprenetapopt in GMP grade. Eprenetapopt (APR-246) is a first-in-class, small molecule that restores wild-type p53 functions in TP53-mutant cells. Eprenetapopt triggers apoptosis in tumor cells. Eprenetapopt also targets the selenoprotein thioredoxin reductase 1 (TrxR1), a key regulator of cellular redox balance.

Specifications

Storage

Room temperature

Verschickt in

Normal

Produkteigenschaften

ALogP

-0.1

Namen und Kennungen

Kanonisches Lächeln

COCC1(C(=O)C2CCN1CC2)CO

IUPAC Name

2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one

InChIKey

BGBNULCRKBVAKL-UHFFFAOYSA-N

INCHI

1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3

Isomere SMILES

COCC1(C(=O)C2CCN1CC2)CO

Molekulargewicht

199.25

Reaxy-Rn

1455580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1455580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinuclidines
      • Subclass Quinuclidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinuclidines
• Subclass: Quinuclidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidones
• Alternative Parents: Piperidinones Trialkylamines Ketones Dialkyl ethers Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinuclidone - Piperidinone - Piperidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinuclidones. These are compounds containing a quinuclidine moiety which bears a ketone group.
• 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

• Schmelzpunkt (°C): 116 °C