PCI-33380 - ≥98% , CAS No.1022899-36-0

CAS: 1022899-36-0 Cat. No.: P646625 Molecular Weight: 855.78 PubChem CID: 168008660

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PCI-33380 is an irreversible and selective Bruton's Tyrosine Kinase (BTK) inhibitor (fluorescent probe).

In Vitro

PCI-33380 bound to Btk could be detected by denaturing gel electrophoresis and fluorescent gel scanning. MCE has not independently confirmed the accuracy of these methods. They are for reference only. ImmunofluorescenceCell Line: Human B cells. Concentration: 2 μM. Incubation Time: 1 h. Result: Found that 10 nM of PCI-32765 was sufficient to fully occupy the active site of Btk in primary B cells in culture by using the fluorescently tagged derivative PCI-33380.

Form:Solid

IC50& Target:BTK

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

PCI-33380 is an irreversible and selective Bruton's Tyrosine Kinase (BTK) inhibitor (fluorescent probe).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCN4CCN(CC4)CC=CC(=O)N5CCCC(C5)N6C7=NC=NC(=C7C(=N6)C8=CC=C(C=C8)OC9=CC=CC=C9)N)C)C)(F)F
• IUPAC Name: N-[2-[4-[(E)-4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]piperazin-1-yl]ethyl]-3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanamide
• InChIKey: YUGFMNZIROEBNV-YRNVUSSQSA-N
• INCHI: 1S/C46H52BF2N11O3/c1-32-28-33(2)58-40(32)29-36-15-14-35(59(36)47(58,48)49)16-19-41(61)51-20-23-56-26-24-55(25-27-56)21-7-11-42(62)57-22-6-8-37(30-57)60-46-43(45(50)52-31-53-46)44(54-60)34-12-17-39(18-13-34)63-38-9-4-3-5-10-38/h3-5,7,9-15,17-18,28-29,31,37H,6,8,16,19-27,30H2,1-2H3,(H,51,61)(H2,50,52,53)/b11-7+
• PubChem CID: 168008660
• Molecular Weight: 855.78

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Pyrazolopyrimidines N-acylpiperidines Phenol ethers N-alkylpiperazines Substituted pyrroles Pyrimidines and pyrimidine derivatives N-acyl amines Imidolactams Tertiary carboxylic acid amides Secondary ketimines Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Pyrazolopyrimidine - N-acyl-piperidine - Phenol ether - N-alkylpiperazine - Fatty acyl - Imidolactam - Substituted pyrrole - Pyrimidine - Piperidine - Piperazine - N-acyl-amine - Fatty amide - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary ketimine - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 50 mg/mL (58.43 mM)