PCI 29732 - ≥99%(HPLC) , CAS No.330786-25-9

CAS: 330786-25-9 Cat. No.: P287191 Summenformel: C₂₂H₂₁N₅O Molekulargewicht: 371.44 EG-Nummer: 878-864-0 PubChem CID: 22347110

GRADE & PURITY ≥99%(HPLC)

Synonyms

A924331 | AC-32586 | AS-56056 | C22H21N5O | 4-amino-1-cyclopentyl-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine | HY-18010 | PCI 29732 | s6725 | BCP30138 | GMJUPMONHWAZCP-UHFFFAOYSA-N | 1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-am

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

A924331 | AC-32586 | AS-56056 | C22H21N5O | 4-amino-1-cyclopentyl-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine | HY-18010 | PCI 29732 | s6725 | BCP30138 | GMJUPMONHWAZCP-UHFFFAOYSA-N | 1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-am

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Potent BTK inhibitor (IC50= 0.3 nM). Blocks B cell antigen receptor (BCR)-mediated gene expression in CD20+B cells.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%(HPLC)

Namen und Kennungen

Pubchem Sid

504769208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769208

Kanonisches Lächeln

C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

IUPAC Name

1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

InChIKey

GMJUPMONHWAZCP-UHFFFAOYSA-N

INCHI

1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)

Isomere SMILES

C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

PubChem CID

22347110

Molekulargewicht

371.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpyrazoles Diarylethers Pyrazolo[3,4-d]pyrimidines Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Aminopyrimidine - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organoheterocyclic compound - Ether - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

BTK Tclin Tyrosine-protein kinase BTK (2 Activities)

Discover Target: BTK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HEK293 (82097 Activities)

Explore this target

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

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 37.14, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.57, Max Conc. mM: 50
• Empfindlichkeit: heat sensitive
• Molekulargewicht: 371.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 371.175 Da
• Monoisotopic Mass: 371.175 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 499.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. 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 330786-25-9, the molecular formula is C22H21N5O, and the molecular weight is 371.44 g/mol. InChIKey GMJUPMONHWAZCP-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.