≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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
PF-4989216 is a potent and selectivePI3Kinhibitor withIC50of 2 nM, 142 nM, 65 nM, 1 nM, and 110 nM for p110α, p110β, p110γ, p110δ, and VPS34, respectively.
Targets
p110δ (Cell-free assay); p110α (Cell-free assay); p110γ (Cell-free assay) 1 nM; 2 nM; 65 nM
In vitro
PF-4989216 significantly inhibits cell viability in SCLC cells with a PIK3CA mutation, such as NCI-H69, NCI-H1048, and Lu99A cells. PF-4989216, via PI3K signaling inhibition, blocks cell-cycle progression and reduces cell transformation in SCLCs. In SCLCs with PIK3CA mutation, PF-4989216 induces BIM-mediated apoptosis.
In vivo
In SCID mice bearing NCI-H69 or NCI-H1048 xenograft tumors, PF-4989216 (350 mg/kg, p.o.) inhibits PI3K phosphorylation signaling and induces antitumor activity.
Cell Research(from reference)
Cell lines：NCI-H69, NCI-H1048, NCI-H1436, NCI-H82, NCI-H254, NCI-H526, NCI-H1963, NCI-H146, NCI-H841, Lu99A, Lu134B, and Lu134A cells.
Concentrations：~10 μM
Incubation Time：72 hours
| ALogP | 2.924 |
|---|---|
| Nombre de HBD | 1 |
| Liaison rotative | 3 |
| Pubchem Sid | 504771003 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771003 |
| Sourires canoniques | C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N |
| IUPAC Name | 4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile |
| InChIKey | MUENOTXSRZEFJV-UHFFFAOYSA-N |
| INCHI | 1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24) |
| Isomères SMILES | C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N |
| PubChem CID | 51033720 |
| Poids moléculaire | 380.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Thiophenes |
| Subclass | Aminothiophenes |
| Intermediate Tree Nodes | 2-aminothiophenes |
| Direct Parent | 3,4,5-trisubstituted-2-aminothiophenes |
| Alternative Parents | Dialkylarylamines Benzonitriles Fluorobenzenes Morpholines Aryl fluorides Triazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3,4,5-trisubstituted-2-aminothiophene - Benzonitrile - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position. |
| External Descriptors | Not available |
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| Solubilité | Solubility (25°C) In vitro DMSO: 76 mg/mL (199.78 mM); Ethanol: 7 mg/mL warmed with 50ºC Water: bath (18.4 mM); Water: Insoluble; |
|---|---|
| DMSO (mg/mL) Solubilité maximale | 76 |
| DMSO (mM) Solubilité maximale | 199.7896951 |
| Eau (mg/mL) Solubilité maximale | ＜1 |
| Poids moléculaire | 380.400 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.086 Da |
| Monoisotopic Mass | 380.086 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 628.000 |
| 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 |
G2206222