≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
Dactolisib Tosylate (BEZ235 Tosylate) is a dual PI3K and mTOR kinase inhibitor with IC 50 values of 4, 75, 7, 5 nM for PI3Kα , β, γ, δ, respectively. Dactolisib Tosylate (BEZ235 Tosylate) inhibits mTORC1 and mTORC2 .
In Vitro
Dactolisib (BEZ235) is an imidazo[4,5-c]quinoline derivative that inhibits PI3K and mTOR kinase activity by binding to the ATP-binding cleft of these enzymes. The IC 50 s for PI3Kα, β, γ, δ are 4, 75, 7, 5 nM, respectively. It is also found to be as active against the mutant PI3Kα E545K or PI3Kα H1047R with IC 50 s of 5.7 and 4.6 nM, respectively. In human tumor cell lines, it is able to effectively and specifically block the dysfunctional activation of the PI3K pathway, inducing G1 arrest. PTEN- cell lines PC3M and U87MG shows a dose-dependent reduction in cell proliferation when treated with increasing concentrations of Dactolisib (BEZ235), with an average GI 50 of 10 to 12 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Dactolisib (BEZ235) is well tolerated, displays disease stasis when administered orally, and enhances the efficacy of other anticancer agents. At a dose of 50 mg/kg, Dactolisib (BEZ235) appears rapidly in plasma with a C max of 1.68 μM at 0.5 h and a C 24h of 0.03 μM . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:p110α 4 nM (IC 50 ) p110α-H1047R 4.6 nM (IC 50 ) p110α-E545K 5.7 nM (IC 50 ) p110γ 5 nM (IC 50 ) p110δ 7 nM (IC 50 ) p110β 75 nM (IC 50 ) mTOR 20.7 nM (IC 50 ) mTORC1 mTORC2 Autophagy
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5 |
|---|---|
| IUPAC Name | 4-methylbenzenesulfonic acid;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile |
| InChIKey | FWURTHAUPVXZHW-UHFFFAOYSA-N |
| INCHI | 1S/C30H23N5O.C7H8O3S/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,1-3H3;2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5 |
| Alternate CAS | 1028385-32-1 |
| PubChem CID | 49803145 |
| NSC Number | 753146 |
| Molecular Weight | 641.74 |
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 | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Imidazoquinolines p-Methylbenzenesulfonates Phenylimidazoles Tosyl compounds Phenylpropanes 1-sulfo,2-unsubstituted aromatic compounds Imidazo-[4,5-c]pyridines Benzenesulfonyl compounds Pyridinones N-substituted imidazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Ureas Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds |
| Molecular Framework | Not available |
| Substituents | Phenylquinoline - Imidazoquinoline - P-methylbenzenesulfonate - 1-phenylimidazole - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Imidazopyridine - Imidazo-[4,5-c]pyridine - Phenylpropane - Benzenesulfonyl group - Pyridinone - Toluene - Pyridine - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Azole - Imidazole - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Urea - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 34 mg/mL (52.98 mM; Need ultrasonic and warming) H2O : <0.1 mg/mL (insoluble) |
|---|---|
| Molecular Weight | 641.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 641.21 Da |
| Monoisotopic Mass | 641.21 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1080.000 |
| 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 | 2 |
