Ibrutinib-MPEA - ≥99% , CAS No.1710768-30-1

CAS: 1710768-30-1 Cat. No.: I650771 Fórmula: C₃₂H₃₉N₉O₂ Peso molecular: 581.71 PubChem CID: 59799011

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Ibrutinib-MPEA (Compound 20) is ibrutinib derivative. Ibrutinib is a covalent and irreversible inhibitor of Bruton's tyrosine kinase (BTK) that has been used to treat haematological malignancies.

Form:Solid

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Ibrutinib-MPEA (Compound 20) is ibrutinib derivative. Ibrutinib is a covalent and irreversible inhibitor of Bruton's tyrosine kinase (BTK) that has been used to treat haematological malignancies.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

C1CC(CN(C1)C(=O)C=CCN2CCN(CC2)CCN)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N

IUPAC Name

(E)-4-[4-(2-aminoethyl)piperazin-1-yl]-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]but-2-en-1-one

InChIKey

RQQVGXHWCJBNPV-DSCGJTOLSA-N

INCHI

1S/C32H39N9O2/c33-14-17-39-20-18-38(19-21-39)15-5-9-28(42)40-16-4-6-25(22-40)41-32-29(31(34)35-23-36-32)30(37-41)24-10-12-27(13-11-24)43-26-7-2-1-3-8-26/h1-3,5,7-13,23,25H,4,6,14-22,33H2,(H2,34,35,36)/b9-5+/t25-/m1/s1

Isómeros SMILES

C1C[C@H](CN(C1)C(=O)/C=C/CN2CCN(CC2)CCN)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N

PubChem CID

59799011

Peso molecular

581.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenylpyrazoles N-acylpiperidines Pyrazolo[3,4-d]pyrimidines Phenoxy compounds Phenol ethers N-alkylpiperazines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Phenylpyrazole - Diaryl ether - Pyrazolo[3,4-d]pyrimidine - N-acyl-piperidine - Pyrazolopyrimidine - Phenol ether - Phenoxy compound - Aminopyrimidine - N-alkylpiperazine - Piperazine - Piperidine - 1,4-diazinane - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 33.33 mg/mL (57.30 mM; Need ultrasonic)

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1710768-30-1, the molecular formula is C32H39N9O2, and the molecular weight is 581.71 g/mol. InChIKey RQQVGXHWCJBNPV-DSCGJTOLSA-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.