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PCI 29732 - ≥99%(HPLC), high purity , CAS No.330786-25-9
Basic Description
| 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 |
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| Specifications & Purity | ≥99%(HPLC) |
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| Biochemical and Physiological Mechanisms | Potent BTK inhibitor (IC50= 0.3 nM). Blocks B cell antigen receptor (BCR)-mediated gene expression in CD20+B cells. |
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| Storage Temp | Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504769208 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769208 |
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| IUPAC Name | 1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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| INCHI | 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) |
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| InChi Key | GMJUPMONHWAZCP-UHFFFAOYSA-N |
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| Canonical SMILES | C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N |
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| Isomeric SMILES | C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N |
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| PubChem CID | 22347110 |
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| Molecular Weight | 371.44 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 37.14, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.57, Max Conc. mM: 50 |
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| Sensitivity | heat sensitive |
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| Molecular Weight | 371.400 g/mol |
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| XLogP3 | 4.200 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 371.175 Da |
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| Monoisotopic Mass | 371.175 Da |
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| Topological Polar Surface Area | 78.900 Ų |
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| Heavy Atom Count | 28 |
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| Formal Charge | 0 |
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| Complexity | 499.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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