10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
IPI-3063 is a potent and selectivep110δinhibitor with biochemical IC50 of 2.5 ± 1.2 nM and IC50 values for the other class I PI3K isoforms (p110α, p110β, p110γ) are at least 400-fold higher.
Targets
p110δ (Cell-free assay) 2.5 nM
In vitro
IPI-3063 is a p110δ selective compound with an IC50\u2009=\u20090.1\u2009nM in p110δ-specific cell-based assays and cellular IC50 values for the other class I PI3K isoforms are at least 1,000-fold higher. IPI-3063 potently reduces mouse B cell proliferation, survival, and plasmablast differentiation.
In vivo
IPI-3063 has good pharmacokinetics in mice.
Cell Research(from reference)
Cell lines：purified mouse B cells
Concentrations：0.01, 0.1, 1, 10, 30, 100\u2009nM
Incubation Time：48 h
| Canonical Smiles | CC(C)N1C(=CC2=C(C1=O)C(=CC=C2)C3=CN(C(=O)C=C3)C)C(C)NC4=NC=NC(=C4C#N)N |
|---|---|
| IUPAC Name | 4-amino-6-[[(1S)-1-[8-(1-methyl-6-oxopyridin-3-yl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile |
| InChIKey | OBHAYOJCPNWKBL-HNNXBMFYSA-N |
| INCHI | 1S/C25H25N7O2/c1-14(2)32-20(15(3)30-24-19(11-26)23(27)28-13-29-24)10-16-6-5-7-18(22(16)25(32)34)17-8-9-21(33)31(4)12-17/h5-10,12-15H,1-4H3,(H3,27,28,29,30)/t15-/m0/s1 |
| Isomeric SMILES | C[C@@H](C1=CC2=C(C(=CC=C2)C3=CN(C(=O)C=C3)C)C(=O)N1C(C)C)NC4=NC=NC(=C4C#N)N |
| Molecular Weight | 455.51 |
| Reaxy-Rn | 45871868 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45871868&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Pyridinones Dihydropyridines Aminopyrimidines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Aminopyrimidine - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 455.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.207 Da |
| Monoisotopic Mass | 455.207 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 962.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
