APR-246 - Moligand™, ≥97% , Cellular tumor antigen p53 stabiliser, CAS No.5291-32-7, Cellular tumor antigen p53 stabiliser

CAS: 5291-32-7 Cat. No.: A176692 Fórmula: C₁₀H₁₇NO₃ Peso molecular: 199.25 Número CE: 110-914-2

GRADE & PURITY Moligand™, ≥97%

Synonyms

APR 246 | 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one | Eprenetapopt | Z41TGB4080 | 2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one | PRIMA-1MET | Eprenetapopt [USAN] | PRIMA-1Met

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

PRIMA-1Met restores wild-type conformation and function to mutant p53, and triggers apoptosis in tumor cells. PRIMA-1Met also targets the selenoprotein thioredoxin reductase 1 (TrxR1), a key regulator of cellular redox balance.

Specifications

Sinónimos

APR 246 | 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one | Eprenetapopt | Z41TGB4080 | 2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one | PRIMA-1MET | Eprenetapopt [USAN] | PRIMA-1Met

Especificações e pureza

Moligand™, ≥97%

Mecanismos bioquímicos e fisiológicos

PRIMA-1Met (APR-246) is a re-activator of mutant p53 activity. It′s the methylated, more potent derivative of PRIMA-1. PRIMA-1Met covalently modifies the core domain of mutated p53 restoring the wild-type conformation and activty of p53 in tumor cells, le

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

STABILISER

Mecanismo de ação

Cellular tumor antigen p53 stabiliser

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Propriedades do produto

ALogP

-0.1

Nomes e identificadores

Pubchem Sid

504771071

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771071

Sorrisos canónicos

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

SMILES isoméricas

COCC1(C(=O)C2CCN1CC2)CO

Peso molecular

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
    • Classe Quinuclidines
      • Subclass Quinuclidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (501.88 mM; Need ultrasonic) H2O : 50 mg/mL (250.94 mM; Need ultrasonic)
• Sensibilidade: Air sensitive;Heat sensitive
• Ponto de fusão (°C): 116 °C
• Peso molecular: 199.250 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 199.121 Da
• Monoisotopic Mass: 199.121 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236.000
• 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